✓
|
6pr6.1.A |
Dihydrofolate reductase
S. aureus dihydrofolate reductase co-crystallized with para-tolyl-dihydropthalazine inhibitor and NADP(H) |
0.99 |
0.00 |
100.00 |
1.00 |
1-159 |
X-ray |
2.01 |
monomer |
1 x NAP, 1 x OWS |
HHblits |
0.62 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 6pr6.1 MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI
target EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 6pr6.1 EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK
|
✓
|
2w9g.1.A |
DIHYDROFOLATE REDUCTASE
Wild-type Staphylococcus aureus DHFR in complex with NADPH and trimethoprim |
0.98 |
0.00 |
100.00 |
1.00 |
1-159 |
X-ray |
1.95 |
monomer |
1 x TOP, 1 x NDP |
HHblits |
0.62 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 2w9g.1 MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI
target EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 2w9g.1 EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK
|
✓
|
2w9h.1.A |
DIHYDROFOLATE REDUCTASE
Wild-type Staphylococcus aureus DHFR in complex with trimethoprim |
0.97 |
0.00 |
100.00 |
1.00 |
1-159 |
X-ray |
1.48 |
monomer |
1 x TOP |
HHblits |
0.62 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 2w9h.1 MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI
target EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 2w9h.1 EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK
|
✓
|
3sqy.1.A |
Dihydrofolate reductase
S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines |
0.98 |
0.00 |
100.00 |
1.00 |
1-159 |
X-ray |
1.50 |
monomer |
1 x NAP, 1 x Q11 |
HHblits |
0.62 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3sqy.1 MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI
target EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 3sqy.1 EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK
|
✓
|
6e4e.1.A |
Dihydrofolate reductase
Crystal structure of dihydrofolate reductase from Staphylococcus aureus MW2 bound to NADP and p218 |
0.99 |
0.00 |
100.00 |
1.00 |
1-159 |
X-ray |
1.90 |
monomer |
1 x NAP, 1 x MMV |
HHblits |
0.62 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 6e4e.1 MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI
target EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 6e4e.1 EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK
|
✓
|
3sr5.1.A |
Dihydrofolate reductase
S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines |
0.98 |
0.00 |
100.00 |
0.99 |
2-159 |
X-ray |
1.68 |
monomer |
1 x NAP, 1 x Q12 |
HHblits |
0.62 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3sr5.1 -TLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI
target EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 3sr5.1 EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK
|
✓
|
6pr8.1.A |
Dihydrofolate reductase
S. aureus dihydrofoate reductase co-crystallized with 3,5-dimethylphenyl-dihydropthalazine inhibitor and NADP(H) |
0.98 |
0.00 |
100.00 |
0.99 |
2-159 |
X-ray |
2.01 |
monomer |
1 x OWJ, 1 x NAP |
HHblits |
0.62 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 6pr8.1 -TLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI
target EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 6pr8.1 EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK
|
✓
|
3fyw.1.A |
Dihydrofolate reductase
Staph. aureus DHFR complexed with NADPH and AR-101 |
0.98 |
0.00 |
100.00 |
0.99 |
2-159 |
X-ray |
2.10 |
monomer |
1 x NDP, 1 x XCF |
HHblits |
0.62 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3fyw.1 -TLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI
target EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 3fyw.1 EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK
|
|
Q6G9D5.1.A |
Dihydrofolate reductase
AlphaFold DB model of DYR_STAAS (gene: folA, organism: Staphylococcus aureus (strain MSSA476)) |
0.98 |
|
98.74 |
1.00 |
1-159 |
AlphaFold v2 |
-1.00 |
monomer |
|
AFDB search |
0.61 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI Q6G9D5.1 MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVVGVDVIHSI
target EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK Q6G9D5.1 EDIYQLPGHVFIFGGQILFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK
|
|
4q67.1.A |
Dihydrofolate reductase
Staphylococcus aureus F98Y mutant dihydrofolate reductase complexed with NADPH |
0.98 |
|
99.37 |
0.99 |
1-158 |
X-ray |
2.04 |
monomer |
1 x NAP |
HHblits |
0.62 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4q67.1 MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI
target EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 4q67.1 EDIYQLPGHVFIFGGQTLYEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRK-
|
|
3fy9.1.A |
Dihydrofolate reductase
Staph. aureus DHFR F98Y complexed with AR-102 |
0.97 |
|
99.37 |
0.99 |
2-159 |
X-ray |
2.25 |
monomer |
1 x NAP, 1 x XCF |
HHblits |
0.62 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3fy9.1 -TLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI
target EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 3fy9.1 EDIYQLPGHVFIFGGQTLYEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK
|
|
4q6a.1.A |
Dihydrofolate reductase
Staphylococcus aureus V31L, F98Y Mutant Dihydrofolate Reductase Complexed with NADPH |
0.98 |
|
98.73 |
0.99 |
1-158 |
X-ray |
2.10 |
monomer |
1 x NAP |
HHblits |
0.62 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4q6a.1 MTLSILVAHDLQRVIGFENQLPWHLPNDLKHLKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI
target EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 4q6a.1 EDIYQLPGHVFIFGGQTLYEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRK-
|
|
3lg4.1.A |
Dihydrofolate reductase
Staphylococcus aureus V31Y, F92I mutant dihydrofolate reductase complexed with NADPH and 5-[(3S)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine |
0.95 |
|
98.73 |
0.99 |
1-158 |
X-ray |
3.15 |
monomer |
1 x NDP, 1 x 52V |
HHblits |
0.61 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3lg4.1 MTLSILVAHDLQRVIGFENQLPWHLPNDLKHYKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI
target EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 3lg4.1 EDIYQLPGHVFIIGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRK-
|
|
3m08.1.A |
Dihydrofolate reductase
Wild Type Dihydrofolate Reductase from Staphylococcus aureus with inhibitor RAB1 |
0.98 |
|
100.00 |
0.99 |
2-158 |
X-ray |
2.01 |
monomer |
1 x RAR, 1 x NAP |
HHblits |
0.62 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3m08.1 -TLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI
target EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 3m08.1 EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRK-
|
|
4tu5.1.A |
Dihydrofolate reductase
Staphylococcus aureus Dihydrofolate Reductase complexed with NADPH and 6-ETHYL-5-[(3S)-3-[3-METHOXY-5-(PYRIDIN-4-YL)PHENYL]BUT-1-YN-1-YL]PYRIMIDINE-2,4-DIAMINE (UCP1062) |
0.97 |
|
100.00 |
0.99 |
2-158 |
X-ray |
2.16 |
monomer |
1 x NDP, 1 x 06W |
HHblits |
0.62 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4tu5.1 -TLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI
target EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 4tu5.1 EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRK-
|
|
4xe6.1.A |
Dihydrofolate reductase
Staphylococcus aureus Dihydrofolate Reductase complexed with NADPH and 6-ETHYL-5-[(3R)-3-[3-METHOXY-5-(PYRIDIN-4-YL)PHENYL]BUT-1-YN-1-YL]PYRIMIDINE-2,4-DIAMINE (UCP1061) |
0.97 |
|
100.00 |
0.99 |
1-157 |
X-ray |
2.69 |
monomer |
1 x 06U, 1 x NDP |
HHblits |
0.62 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4xe6.1 MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI
target EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 4xe6.1 EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR--
|
|
5hf0.1.A |
Dihydrofolate reductase
Staphylococcus aureus Dihydrofolate Reductase complexed with beta-NADPH, cyclic alpha-NADPH anomer and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-biphenyl]-4-carboxylic acid (UCP1106) |
0.98 |
|
100.00 |
0.99 |
2-158 |
X-ray |
2.25 |
monomer |
1 x U06, 1 x XNP, 1 x NAP |
HHblits |
0.62 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 5hf0.1 -TLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI
target EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 5hf0.1 EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRK-
|
|
3sgy.1.A |
Dihydrofolate reductase
Staphylococcus aureus Dihydrofolate Reductase complexed with NADPH and 6-ETHYL-5-[(3S)-3-[3-METHOXY-5-(PYRIDIN-4-YL)PHENYL]BUT-1-YN-1-YL]PYRIMIDINE-2,4-DIAMINE (UCP1006) |
0.97 |
|
100.00 |
0.99 |
2-158 |
X-ray |
2.60 |
monomer |
1 x NDP, 1 x 06W |
HHblits |
0.62 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3sgy.1 -TLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI
target EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 3sgy.1 EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRK-
|
|
3f0u.1.A |
Trimethoprim-sensitive dihydrofolate reductase
Staphylococcus aureus F98Y mutant dihydrofolate reductase complexed with NADPH and 2,4-Diamino-5-[3-(3-methoxy-5-phenylphenyl)but-1-ynyl]-6-methylpyrimidine |
0.98 |
|
99.36 |
0.99 |
2-158 |
X-ray |
1.60 |
monomer |
1 x NDP, 1 x 53R |
HHblits |
0.62 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3f0u.1 -TLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI
target EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 3f0u.1 EDIYQLPGHVFIFGGQTLYEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRK-
|
|
5isp.1.A |
Dihydrofolate reductase
Staphylococcus aureus F98Y Dihydrofolate Reductase mutant complexed with beta-NADPH and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-biphenyl]-4-carboxylic acid (UCP1106) |
0.98 |
|
99.36 |
0.99 |
2-158 |
X-ray |
1.84 |
monomer |
1 x NAP, 1 x U06 |
HHblits |
0.62 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 5isp.1 -TLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI
target EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 5isp.1 EDIYQLPGHVFIFGGQTLYEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRK-
|
|
3m09.1.A |
Dihydrofolate reductase
F98Y TMP-resistant Dihydrofolate Reductase from Staphylococcus aureus with inhibitor RAB1 |
0.98 |
|
99.36 |
0.99 |
2-158 |
X-ray |
2.01 |
monomer |
1 x RAR, 1 x NAP |
HHblits |
0.62 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3m09.1 -TLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI
target EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 3m09.1 EDIYQLPGHVFIFGGQTLYEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRK-
|
|
5ist.1.A |
Dihydrofolate reductase
Staphylococcus aureus Dihydrofolate Reductase complexed with beta-NADPH, cyclic alpha-NADPH anomer and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-biphenyl]-4-carboxylic acid (UCP1106) |
0.98 |
|
99.36 |
0.99 |
2-158 |
X-ray |
1.72 |
monomer |
1 x U06, 1 x XNP, 1 x NAP |
HHblits |
0.62 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 5ist.1 -TLSILVAHDLQRVIGFENQLPWHLPNDLKNVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI
target EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 5ist.1 EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRK-
|
|
3i8a.1.A |
Dihydrofolate reductase
Staphylococcus aureus H30N, F98Y Dihydrofolate Reductase complexed with NADPH and 2,4-diamino-5-(3-(2,5-dimethoxyphenyl)prop-1-ynyl)-6-ethylpyrimidine (UCP120B) |
0.97 |
|
98.73 |
0.99 |
2-158 |
X-ray |
2.41 |
monomer |
1 x N22, 1 x NDP |
HHblits |
0.62 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3i8a.1 -TLSILVAHDLQRVIGFENQLPWHLPNDLKNVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI
target EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 3i8a.1 EDIYQLPGHVFIFGGQTLYEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRK-
|
|
5isq.1.A |
Dihydrofolate reductase
Staphylococcus aureus H30N, F98Y Dihydrofolate Reductase mutant complexed with beta-NADPH and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-biphenyl]-4-carboxylic acid (UCP1106) |
0.98 |
|
98.73 |
0.99 |
2-158 |
X-ray |
1.90 |
monomer |
1 x NAP, 1 x U06 |
HHblits |
0.62 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 5isq.1 -TLSILVAHDLQRVIGFENQLPWHLPNDLKNVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI
target EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 5isq.1 EDIYQLPGHVFIFGGQTLYEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRK-
|
|
2w9s.1.A |
DIHYDROFOLATE REDUCTASE TYPE 1 FROM TN4003
Staphylococcus aureus S1:DHFR in complex with trimethoprim |
0.94 |
0.00 |
81.13 |
1.00 |
1-159 |
X-ray |
1.80 |
monomer |
1 x NDP, 1 x TOP |
BLAST |
0.56 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 2w9s.1 MTLSIIVAHDKQRVIGYQNQLPWHLPNDLKHIKQLTTGNTLVMARKTFESIGKPLPNRRNVVLTNQASFHHEGVDVINSL
target EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 2w9s.1 DEIKELSGHVFIFGGQTLYEAMIDQVDDMYITVIDGKFQGDTFFPPYTFEDWEVESSVEGQLDEKNTIPHTFLHLVRRK
|
|
2w9t.1.A |
DIHYDROFOLATE REDUCTASE TYPE 1
Staphylococcus aureus S1:DHFR |
0.89 |
0.00 |
81.13 |
1.00 |
1-159 |
X-ray |
2.35 |
monomer |
|
BLAST |
0.56 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 2w9t.1 MTLSIIVAHDKQRVIGYQNQLPWHLPNDLKHIKQLTTGNTLVMARKTFESIGKPLPNRRNVVLTNQASFHHEGVDVINSL
target EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 2w9t.1 DEIKELSGHVFIFGGQTLYEAMIDQVDDMYITVIDGKFQGDTFFPPYTFEDWEVESSVEGQLDEKNTIPHTFLHLVRRK
|
|
2w9s.1.A |
DIHYDROFOLATE REDUCTASE TYPE 1 FROM TN4003
Staphylococcus aureus S1:DHFR in complex with trimethoprim |
0.94 |
0.00 |
81.01 |
0.99 |
1-158 |
X-ray |
1.80 |
monomer |
1 x NDP, 1 x TOP |
HHblits |
0.56 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 2w9s.1 MTLSIIVAHDKQRVIGYQNQLPWHLPNDLKHIKQLTTGNTLVMARKTFESIGKPLPNRRNVVLTNQASFHHEGVDVINSL
target EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 2w9s.1 DEIKELSGHVFIFGGQTLYEAMIDQVDDMYITVIDGKFQGDTFFPPYTFEDWEVESSVEGQLDEKNTIPHTFLHLVRR-
|
|
2w9t.1.A |
DIHYDROFOLATE REDUCTASE TYPE 1
Staphylococcus aureus S1:DHFR |
0.89 |
0.00 |
81.01 |
0.99 |
1-158 |
X-ray |
2.35 |
monomer |
|
HHblits |
0.56 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 2w9t.1 MTLSIIVAHDKQRVIGYQNQLPWHLPNDLKHIKQLTTGNTLVMARKTFESIGKPLPNRRNVVLTNQASFHHEGVDVINSL
target EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 2w9t.1 DEIKELSGHVFIFGGQTLYEAMIDQVDDMYITVIDGKFQGDTFFPPYTFEDWEVESSVEGQLDEKNTIPHTFLHLVRR-
|
|
1zdr.1.A |
dihydrofolate reductase
DHFR from Bacillus Stearothermophilus |
0.81 |
|
50.00 |
0.99 |
2-159 |
X-ray |
2.00 |
monomer |
|
HHblits |
0.44 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 1zdr.1 -MISHIVAMDENRVIGKDNRLPWHLPADLAYFKRVTMGHAIVMGRKTFEAIGRPLPGRDNVVVTGNRSFRPEGCLVLHSL
target EDIYQL----PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLI 1zdr.1 EEVKQWIASRADEVFIIGGAELFRATMPIVDRLYVTKIFASFPGDTFYPPISDDEWEIVSYTPGGKDEKNPYEHAFIIYE
target RKK 1zdr.1 RKK
|
|
1zdr.2.A |
dihydrofolate reductase
DHFR from Bacillus Stearothermophilus |
0.81 |
|
50.00 |
0.99 |
2-159 |
X-ray |
2.00 |
monomer |
|
HHblits |
0.44 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 1zdr.2 -MISHIVAMDENRVIGKDNRLPWHLPADLAYFKRVTMGHAIVMGRKTFEAIGRPLPGRDNVVVTGNRSFRPEGCLVLHSL
target EDIYQL----PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLI 1zdr.2 EEVKQWIASRADEVFIIGGAELFRATMPIVDRLYVTKIFASFPGDTFYPPISDDEWEIVSYTPGGKDEKNPYEHAFIIYE
target RKK 1zdr.2 RKK
|
|
1zdr.1.A |
dihydrofolate reductase
DHFR from Bacillus Stearothermophilus |
0.81 |
|
50.32 |
0.99 |
3-159 |
X-ray |
2.00 |
monomer |
|
BLAST |
0.44 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 1zdr.1 --ISHIVAMDENRVIGKDNRLPWHLPADLAYFKRVTMGHAIVMGRKTFEAIGRPLPGRDNVVVTGNRSFRPEGCLVLHSL
target EDIYQL----PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLI 1zdr.1 EEVKQWIASRADEVFIIGGAELFRATMPIVDRLYVTKIFASFPGDTFYPPISDDEWEIVSYTPGGKDEKNPYEHAFIIYE
target RKK 1zdr.1 RKK
|
|
1zdr.2.A |
dihydrofolate reductase
DHFR from Bacillus Stearothermophilus |
0.80 |
|
50.32 |
0.99 |
3-159 |
X-ray |
2.00 |
monomer |
|
BLAST |
0.44 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 1zdr.2 --ISHIVAMDENRVIGKDNRLPWHLPADLAYFKRVTMGHAIVMGRKTFEAIGRPLPGRDNVVVTGNRSFRPEGCLVLHSL
target EDIYQL----PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLI 1zdr.2 EEVKQWIASRADEVFIIGGAELFRATMPIVDRLYVTKIFASFPGDTFYPPISDDEWEIVSYTPGGKDEKNPYEHAFIIYE
target RKK 1zdr.2 RKK
|
|
3jw5.1.A |
Dihydrofolate reductase
Crystal structure of Bacillus anthracis (Y102F) dihydrofolate reductase complexed with NADPH and Trimethoprim |
0.74 |
|
45.86 |
0.99 |
1-159 |
X-ray |
2.89 |
monomer |
1 x NDP, 1 x TOP |
BLAST |
0.44 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3jw5.1 MRVSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEAIGRPLPGRRNIIVTRNEGYHVEGCEVAHSV
target EDIYQLPGH---VFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 3jw5.1 EEVFELCKNEEEIFIFGGAQIFDLFLPYVDKLYITKIHHAFEGDTFFPEMDMTNWKEVFVEKGLTDEKN--PYTYYYHVY
target KK 3jw5.1 EK
|
|
2qk8.1.A |
Dihydrofolate reductase
Crystal structure of the anthrax drug target, Bacillus anthracis dihydrofolate reductase |
0.72 |
|
45.22 |
0.99 |
1-159 |
X-ray |
2.40 |
monomer |
1 x MTX |
BLAST |
0.44 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 2qk8.1 MIVSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEAIGRPLPGRRNIIVTRNEGYHVEGCEVAHSV
target EDIYQLPGH---VFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 2qk8.1 EEVFELCKNEEEIFIFGGAQIYDLFLPYVDKLYITKIHHAFEGDTFFPEMDMTNWKEVFVEKGLTDEKN--PYTYYYHVY
target KK 2qk8.1 EK
|
|
3dat.1.A |
Dihydrofolate reductase
Crystal structure of the ternary MTX NADPH complex of Bacillus anthracis dihydrofolate reductase |
0.73 |
|
45.22 |
0.99 |
1-159 |
X-ray |
2.30 |
monomer |
1 x MTX, 1 x NDP |
BLAST |
0.44 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3dat.1 MIVSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEAIGRPLPGRRNIIVTRNEGYHVEGCEVAHSV
target EDIYQLPGH---VFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 3dat.1 EEVFELCKNEEEIFIFGGAQIYDLFLPYVDKLYITKIHHAFEGDTFFPEMDMTNWKEVFVEKGLTDEKN--PYTYYYHVY
target KK 3dat.1 EK
|
|
8ssx.1.A |
Dihydrofolate reductase
Crystal structure of Bacillus anthracis dihydrofolate reductase at 1.65-A resolution |
0.66 |
|
45.22 |
0.99 |
1-159 |
X-ray |
1.65 |
monomer |
|
BLAST |
0.44 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 8ssx.1 MIVSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEAIGRPLPGRRNIIVTRNEGYHVEGCEVAHSV
target EDIYQLPGH---VFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 8ssx.1 EEVFELCKNEEEIFIFGGAQIYDLFLPYVDKLYITKIHHAFEGDTFFPEMDMTNWKEVFVEKGLTDEKN--PYTYYYHVY
target KK 8ssx.1 EK
|
|
3fl8.5.A |
Dihydrofolate reductase
Crystal structure of B. anthracis dihydrofolate reductase (DHFR) with RAB1, a TMP-dihydrophthalazine derivative |
0.74 |
|
45.22 |
0.99 |
1-159 |
X-ray |
2.29 |
monomer |
1 x CA, 1 x RAR |
BLAST |
0.44 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3fl8.5 MIVSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEAIGRPLPGRRNIIVTRNEGYHVEGCEVAHSV
target EDIYQLPGH---VFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 3fl8.5 EEVFELCKNEEEIFIFGGAQIYDLFLPYVDKLYITKIHHAFEGDTFFPEMDMTNWKEVFVEKGLTDEKN--PYTYYYHVY
target KK 3fl8.5 EK
|
|
3fl9.2.A |
dihydrofolate reductase (DHFR)
Crystal structure of B. anthracis dihydrofolate reductase (DHFR) with trimethoprim |
0.72 |
|
45.22 |
0.99 |
1-159 |
X-ray |
2.40 |
monomer |
1 x CA, 1 x TOP |
BLAST |
0.44 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3fl9.2 MIVSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEAIGRPLPGRRNIIVTRNEGYHVEGCEVAHSV
target EDIYQLPGH---VFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 3fl9.2 EEVFELCKNEEEIFIFGGAQIYDLFLPYVDKLYITKIHHAFEGDTFFPEMDMTNWKEVFVEKGLTDEKN--PYTYYYHVY
target KK 3fl9.2 EK
|
|
3jvx.1.A |
Dihydrofolate reductase
Crystal structure of Bacillus anthracis dihydrofolate reductase complexed with NADPH and 2,4-diamino-5-(3-(3,4,5-trimethoxyphenyl)prop-1-ynyl)-6-ethylpyrimidine (UCP120A) |
0.75 |
|
45.22 |
0.99 |
1-159 |
X-ray |
2.25 |
homo-dimer |
2 x NDP, 2 x EKB |
BLAST |
0.44 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3jvx.1 MRVSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEAIGRPLPGRRNIIVTRNEGYHVEGCEVAHSV
target EDIYQLPGH---VFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 3jvx.1 EEVFELCKNEEEIFIFGGAQIYDLFLPYVDKLYITKIHHAFEGDTFFPEMDMTNWKEVFVEKGLTDEKN--PYTYYYHVY
target KK 3jvx.1 EK
|
|
2kgk.1.A |
Dihydrofolate reductase
Solution structure of Bacillus anthracis dihydrofolate reductase |
0.59 |
|
45.22 |
0.99 |
1-159 |
NMR |
0.00 |
monomer |
1 x NAP, 1 x N22 |
BLAST |
0.44 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 2kgk.1 MIVSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEAIGRPLPGRRNIIVTRNEGYHVEGCEVAHSV
target EDIYQLPGH---VFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 2kgk.1 EEVFELCKNEEEIFIFGGAQIYDLFLPYVDKLYITKIHHAFEGDTFFPEMDMTNWKEVFVEKGLTDEKN--PYTYYYHVY
target KK 2kgk.1 EK
|
|
3sai.2.A |
Dihydrofolate reductase
Bacuills anthracis Dihydrofolate Reductase bound to propargyl-linked TMP analog, UCP1015 |
0.75 |
|
45.22 |
0.99 |
1-159 |
X-ray |
2.25 |
monomer |
1 x NAP, 1 x 9DR |
BLAST |
0.44 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3sai.2 MRVSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEAIGRPLPGRRNIIVTRNEGYHVEGCEVAHSV
target EDIYQLPGH---VFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 3sai.2 EEVFELCKNEEEIFIFGGAQIYDLFLPYVDKLYITKIHHAFEGDTFFPEMDMTNWKEVFVEKGLTDEKN--PYTYYYHVY
target KK 3sai.2 EK
|
|
3e0b.1.A |
Dihydrofolate reductase
Bacillus anthracis Dihydrofolate Reductase complexed with NADPH and 2,4-diamino-5-(3-(2,5-dimethoxyphenyl)prop-1-ynyl)-6-ethylpyrimidine (UCP120B) |
0.75 |
|
45.22 |
0.99 |
1-159 |
X-ray |
2.25 |
monomer |
1 x NDP, 1 x N22 |
BLAST |
0.44 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3e0b.1 MRVSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEAIGRPLPGRRNIIVTRNEGYHVEGCEVAHSV
target EDIYQLPGH---VFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 3e0b.1 EEVFELCKNEEEIFIFGGAQIYDLFLPYVDKLYITKIHHAFEGDTFFPEMDMTNWKEVFVEKGLTDEKN--PYTYYYHVY
target KK 3e0b.1 EK
|
|
3jw5.1.A |
Dihydrofolate reductase
Crystal structure of Bacillus anthracis (Y102F) dihydrofolate reductase complexed with NADPH and Trimethoprim |
0.82 |
|
43.40 |
1.00 |
1-159 |
X-ray |
2.89 |
monomer |
1 x NDP, 1 x TOP |
HHblits |
0.43 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3jw5.1 MRVSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEAIGRPLPGRRNIIVTRNEGYHVEGCEVAHSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 3jw5.1 EEVFELCKNEEEIFIFGGAQIFDLFLPYVDKLYITKIHHAFEGDTFFPEMDMTNWKEVFVEKGLTDEKNPYTYYYHVYEK
target KK 3jw5.1 QQ
|
|
3jw3.1.A |
Dihydrofolate reductase
Crystal structure of Bacillus anthracis (F96I) dihydrofolate reductase complexed with NADPH and Trimethoprim |
0.74 |
|
44.59 |
0.99 |
1-159 |
X-ray |
2.57 |
monomer |
1 x NDP, 1 x TOP |
BLAST |
0.44 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3jw3.1 MRVSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEAIGRPLPGRRNIIVTRNEGYHVEGCEVAHSV
target EDIYQLPGH---VFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 3jw3.1 EEVFELCKNEEEIFIIGGAQIYDLFLPYVDKLYITKIHHAFEGDTFFPEMDMTNWKEVFVEKGLTDEKN--PYTYYYHVY
target KK 3jw3.1 EK
|
|
2qk8.1.A |
Dihydrofolate reductase
Crystal structure of the anthrax drug target, Bacillus anthracis dihydrofolate reductase |
0.79 |
|
42.77 |
1.00 |
1-159 |
X-ray |
2.40 |
monomer |
1 x MTX |
HHblits |
0.43 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 2qk8.1 MIVSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEAIGRPLPGRRNIIVTRNEGYHVEGCEVAHSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 2qk8.1 EEVFELCKNEEEIFIFGGAQIYDLFLPYVDKLYITKIHHAFEGDTFFPEMDMTNWKEVFVEKGLTDEKNPYTYYYHVYEK
target KK 2qk8.1 QQ
|
|
3dat.1.A |
Dihydrofolate reductase
Crystal structure of the ternary MTX NADPH complex of Bacillus anthracis dihydrofolate reductase |
0.80 |
|
42.77 |
1.00 |
1-159 |
X-ray |
2.30 |
monomer |
1 x MTX, 1 x NDP |
HHblits |
0.43 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3dat.1 MIVSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEAIGRPLPGRRNIIVTRNEGYHVEGCEVAHSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 3dat.1 EEVFELCKNEEEIFIFGGAQIYDLFLPYVDKLYITKIHHAFEGDTFFPEMDMTNWKEVFVEKGLTDEKNPYTYYYHVYEK
target KK 3dat.1 QQ
|
|
8ssx.1.A |
Dihydrofolate reductase
Crystal structure of Bacillus anthracis dihydrofolate reductase at 1.65-A resolution |
0.74 |
|
42.77 |
1.00 |
1-159 |
X-ray |
1.65 |
monomer |
|
HHblits |
0.43 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 8ssx.1 MIVSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEAIGRPLPGRRNIIVTRNEGYHVEGCEVAHSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 8ssx.1 EEVFELCKNEEEIFIFGGAQIYDLFLPYVDKLYITKIHHAFEGDTFFPEMDMTNWKEVFVEKGLTDEKNPYTYYYHVYEK
target KK 8ssx.1 QQ
|
|
3jvx.1.A |
Dihydrofolate reductase
Crystal structure of Bacillus anthracis dihydrofolate reductase complexed with NADPH and 2,4-diamino-5-(3-(3,4,5-trimethoxyphenyl)prop-1-ynyl)-6-ethylpyrimidine (UCP120A) |
0.82 |
|
42.77 |
1.00 |
1-159 |
X-ray |
2.25 |
homo-dimer |
2 x NDP, 2 x EKB |
HHblits |
0.43 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3jvx.1 MRVSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEAIGRPLPGRRNIIVTRNEGYHVEGCEVAHSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 3jvx.1 EEVFELCKNEEEIFIFGGAQIYDLFLPYVDKLYITKIHHAFEGDTFFPEMDMTNWKEVFVEKGLTDEKNPYTYYYHVYEK
target KK 3jvx.1 QQ
|
|
3e0b.1.A |
Dihydrofolate reductase
Bacillus anthracis Dihydrofolate Reductase complexed with NADPH and 2,4-diamino-5-(3-(2,5-dimethoxyphenyl)prop-1-ynyl)-6-ethylpyrimidine (UCP120B) |
0.82 |
|
42.77 |
1.00 |
1-159 |
X-ray |
2.25 |
monomer |
1 x NDP, 1 x N22 |
HHblits |
0.43 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3e0b.1 MRVSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEAIGRPLPGRRNIIVTRNEGYHVEGCEVAHSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 3e0b.1 EEVFELCKNEEEIFIFGGAQIYDLFLPYVDKLYITKIHHAFEGDTFFPEMDMTNWKEVFVEKGLTDEKNPYTYYYHVYEK
target KK 3e0b.1 QQ
|
|
3tq8.1.A |
Dihydrofolate reductase
Structure of the dihydrofolate reductase (folA) from Coxiella burnetii in complex with trimethoprim |
0.81 |
|
43.04 |
0.99 |
1-158 |
X-ray |
1.90 |
monomer |
1 x NDP, 1 x TOP |
HHblits |
0.43 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3tq8.1 MIITLIAAMDKNRLIGRNNELPWHLPADLAHFKSITLGKPIVMGRRTFDSIGKPLPHRRNIVITQQKNLIIEGCDIFYSL
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 3tq8.1 DDALSALTKEPEVIIIGGARIFKEALPKADKMILTIINHSFEGDVYFPEWNDKEWKITSQIKHERDEKNPYPFQFLELRR
target KK 3tq8.1 L-
|
|
3tq8.1.A |
Dihydrofolate reductase
Structure of the dihydrofolate reductase (folA) from Coxiella burnetii in complex with trimethoprim |
0.81 |
|
43.31 |
0.99 |
1-157 |
X-ray |
1.90 |
monomer |
1 x NDP, 1 x TOP |
BLAST |
0.43 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3tq8.1 MIITLIAAMDKNRLIGRNNELPWHLPADLAHFKSITLGKPIVMGRRTFDSIGKPLPHRRNIVITQQKNLIIEGCDIFYSL
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 3tq8.1 DDALSALTKEPEVIIIGGARIFKEALPKADKMILTIINHSFEGDVYFPEWNDKEWKITSQIKHERDEKNPYPFQFLELRR
target KK 3tq8.1 --
|
|
3fl8.5.A |
Dihydrofolate reductase
Crystal structure of B. anthracis dihydrofolate reductase (DHFR) with RAB1, a TMP-dihydrophthalazine derivative |
0.81 |
|
43.04 |
0.99 |
1-158 |
X-ray |
2.29 |
monomer |
1 x CA, 1 x RAR |
HHblits |
0.43 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3fl8.5 MIVSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEAIGRPLPGRRNIIVTRNEGYHVEGCEVAHSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 3fl8.5 EEVFELCKNEEEIFIFGGAQIYDLFLPYVDKLYITKIHHAFEGDTFFPEMDMTNWKEVFVEKGLTDEKNPYTYYYHVYEK
target KK 3fl8.5 Q-
|
|
3fl9.2.A |
dihydrofolate reductase (DHFR)
Crystal structure of B. anthracis dihydrofolate reductase (DHFR) with trimethoprim |
0.79 |
|
43.04 |
0.99 |
1-158 |
X-ray |
2.40 |
monomer |
1 x CA, 1 x TOP |
HHblits |
0.43 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3fl9.2 MIVSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEAIGRPLPGRRNIIVTRNEGYHVEGCEVAHSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 3fl9.2 EEVFELCKNEEEIFIFGGAQIYDLFLPYVDKLYITKIHHAFEGDTFFPEMDMTNWKEVFVEKGLTDEKNPYTYYYHVYEK
target KK 3fl9.2 Q-
|
|
2kgk.1.A |
Dihydrofolate reductase
Solution structure of Bacillus anthracis dihydrofolate reductase |
0.64 |
|
43.04 |
0.99 |
1-158 |
NMR |
0.00 |
monomer |
1 x NAP, 1 x N22 |
HHblits |
0.43 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 2kgk.1 MIVSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEAIGRPLPGRRNIIVTRNEGYHVEGCEVAHSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 2kgk.1 EEVFELCKNEEEIFIFGGAQIYDLFLPYVDKLYITKIHHAFEGDTFFPEMDMTNWKEVFVEKGLTDEKNPYTYYYHVYEK
target KK 2kgk.1 Q-
|
|
3sai.2.A |
Dihydrofolate reductase
Bacuills anthracis Dihydrofolate Reductase bound to propargyl-linked TMP analog, UCP1015 |
0.82 |
|
43.04 |
0.99 |
1-158 |
X-ray |
2.25 |
monomer |
1 x NAP, 1 x 9DR |
HHblits |
0.43 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3sai.2 MRVSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEAIGRPLPGRRNIIVTRNEGYHVEGCEVAHSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 3sai.2 EEVFELCKNEEEIFIFGGAQIYDLFLPYVDKLYITKIHHAFEGDTFFPEMDMTNWKEVFVEKGLTDEKNPYTYYYHVYEK
target KK 3sai.2 Q-
|
|
8uvz.1.A |
Dihydrofolate reductase
Bacillus subtilis DHFR bound to NADP+ and folate |
0.82 |
|
43.31 |
0.99 |
2-158 |
X-ray |
0.93 |
monomer |
1 x FOL, 1 x NAP |
HHblits |
0.43 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 8uvz.1 -MISFIFAMDANRLIGKDNDLPWHLPNDLAYFKKITSGHSIIMGRKTFESIGRPLPNRKNIVVTSAPDSEFQGCTVVSSL
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 8uvz.1 KDVLDICSGPEECFVIGGAQLYTDLFPYADRLYMTKIHHEFEGDRHFPEFDESNWKLVSSEQGTKDEKNPYDYEFLMYEK
target KK 8uvz.1 K-
|
|
3jw3.1.A |
Dihydrofolate reductase
Crystal structure of Bacillus anthracis (F96I) dihydrofolate reductase complexed with NADPH and Trimethoprim |
0.81 |
|
42.41 |
0.99 |
1-158 |
X-ray |
2.57 |
monomer |
1 x NDP, 1 x TOP |
HHblits |
0.42 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3jw3.1 MRVSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEAIGRPLPGRRNIIVTRNEGYHVEGCEVAHSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 3jw3.1 EEVFELCKNEEEIFIIGGAQIYDLFLPYVDKLYITKIHHAFEGDTFFPEMDMTNWKEVFVEKGLTDEKNPYTYYYHVYEK
target KK 3jw3.1 Q-
|
|
8uvz.1.A |
Dihydrofolate reductase
Bacillus subtilis DHFR bound to NADP+ and folate |
0.82 |
|
43.59 |
0.98 |
3-158 |
X-ray |
0.93 |
monomer |
1 x FOL, 1 x NAP |
BLAST |
0.43 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 8uvz.1 --ISFIFAMDANRLIGKDNDLPWHLPNDLAYFKKITSGHSIIMGRKTFESIGRPLPNRKNIVVTSAPDSEFQGCTVVSSL
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 8uvz.1 KDVLDICSGPEECFVIGGAQLYTDLFPYADRLYMTKIHHEFEGDRHFPEFDESNWKLVSSEQGTKDEKNPYDYEFLMYEK
target KK 8uvz.1 K-
|
|
4m7v.1.A |
Dihydrofolate reductase
Dihydrofolate reductase from Enterococcus faecalis complexed with NADP(H)and RAB-propyl |
0.77 |
|
45.57 |
0.99 |
2-159 |
X-ray |
2.30 |
monomer |
1 x RAR, 1 x NAP |
HHblits |
0.42 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG-KPLPNRRNVVLTSDTSFNVEGVDVIHS 4m7v.1 -MLAAIWAQDEQGVIGKEGKLPWHLPNDLKFFKEKTIHNTLVLGRATFEGMGCRPLPNRTTIVLTSNPDYQAEGVLVMHS
target IEDIYQL---PGHVFIFGGQT-LFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHL 4m7v.1 VEEILAYADKYEGVTVIGGGSVVFKELIPACDVLYRTMIHETFEGDTFFPEIDWSVWEKVATVPGVVDEKNLYAHDYETY
target IRKK 4m7v.1 HRND
|
|
4m7u.1.A |
Dihydrofolate reductase
Dihydrofolate reductase from Enterococcus faecalis complexed with NADP(H) |
0.77 |
|
45.57 |
0.99 |
2-159 |
X-ray |
2.10 |
monomer |
1 x NAP |
HHblits |
0.42 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG-KPLPNRRNVVLTSDTSFNVEGVDVIHS 4m7u.1 -MLAAIWAQDEQGVIGKEGKLPWHLPNDLKFFKEKTIHNTLVLGRATFEGMGCRPLPNRTTIVLTSNPDYQAEGVLVMHS
target IEDIYQL---PGHVFIFGGQT-LFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHL 4m7u.1 VEEILAYADKYEGVTVIGGGSVVFKELIPACDVLYRTMIHETFEGDTFFPEIDWSVWEKVATVPGVVDEKNLYAHDYETY
target IRKK 4m7u.1 HRND
|
|
7tj3.1.A |
Dihydrofolate reductase
Crystal structure of a dihydrofolate reductase folA from Stenotrophomonas maltophilia bound to NADP and p218 |
0.80 |
|
38.61 |
0.99 |
1-158 |
X-ray |
1.55 |
monomer |
1 x NAP, 1 x MMV |
HHblits |
0.40 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 7tj3.1 MKLSMIVALDRNRGIGQGNAMPWHLPDDFKHFKALTLGKPILMGRKTAESIGRVLPGRTNLVLTRSGQVPFEGMRAVASL
target EDIYQL-----PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHL 7tj3.1 DEAKTIAEGEGASELCIIGGGEIFHQLLDQASDLYLTWVDAEIPADTHFPEVDMQDWREVSSEPHPADERHAYAFRFAHY
target IRKK 7tj3.1 VRR-
|
|
3ia4.1.A |
Dihydrofolate reductase
Moritella profunda dihydrofolate reductase (DHFR) in complex with NADPH and methotrexate (MTX) |
0.81 |
|
39.62 |
1.00 |
1-159 |
X-ray |
1.70 |
monomer |
1 x NDP, 1 x MTX |
HHblits |
0.40 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3ia4.1 MIVSMIAALANNRVIGLDNKMPWHLPAELQLFKRATLGKPIVMGRNTFESIGRPLPGRLNIVLSRQTDYQPEGVTVVATL
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 3ia4.1 EDAVVAAGDVEELMIIGGATIYNQCLAAADRLYLTHIELTTEGDTWFPDYEQYNWQEIEHESYAADDKNPHNYRFSLLER
target KK 3ia4.1 VK
|
|
3ia5.1.A |
Dihydrofolate reductase
Moritella profunda dihydrofolate reductase (DHFR) |
0.78 |
|
39.62 |
1.00 |
1-159 |
X-ray |
2.10 |
monomer |
|
HHblits |
0.40 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3ia5.1 MIVSMIAALANNRVIGLDNKMPWHLPAELQLFKRATLGKPIVMGRNTFESIGRPLPGRLNIVLSRQTDYQPEGVTVVATL
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 3ia5.1 EDAVVAAGDVEELMIIGGATIYNQCLAAADRLYLTHIELTTEGDTWFPDYEQYNWQEIEHESYAADDKNPHNYRFSLLER
target KK 3ia5.1 VK
|
|
2zza.1.A |
Dihydrofolate reductase
Moritella profunda Dihydrofolate reductase complex with NADP+ and Folate |
0.81 |
|
38.99 |
1.00 |
1-159 |
X-ray |
2.00 |
monomer |
1 x NAP, 1 x FOL |
HHblits |
0.40 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 2zza.1 VIVSMIAALANNRVIGLDNKMPWHLPAELQLFKRATLGKPIVMGRNTFESIGRPLPGRLNIVLSRQTDYQPEGVTVVATL
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 2zza.1 EDAVVAAGDVEELMIIGGATIYNQCLAAADRLYLTHIELTTEGDTWFPDYEQYNWQEIEHESYAADDKNPHNYRFSLLER
target KK 2zza.1 VK
|
|
3q1h.1.A |
Dihydrofolate reductase
Crystal Structure of Dihydrofolate Reductase from Yersinia pestis |
0.68 |
|
40.13 |
0.99 |
1-158 |
X-ray |
1.80 |
monomer |
|
BLAST |
0.40 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3q1h.1 MIISLIAALAADRVIGMENAMPWHLPADLAWFKRNTLNKPVIMGRKTFESIGRPLPGRLNIVISSQPGTD-ERVTWAASI
target EDIYQLPGH---VFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 3q1h.1 EEALAFAGNAEEVMVMGGGRVYKQFLDRANRMYLTHIDAEVGGDTHFPDYEPDEWESVFSEFHDADEANSHSYCFEILER
target KK 3q1h.1 R-
|
|
5hi6.1.A |
Dihydrofolate reductase
The high resolution structure of dihydrofolate reductase from Yersinia pestis complex with methotrexate as closed form |
0.76 |
|
40.13 |
0.99 |
1-158 |
X-ray |
2.05 |
monomer |
1 x MTX, 1 x CA, 1 x K |
BLAST |
0.40 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 5hi6.1 MIISLIAALAADRVIGMENAMPWHLPADLAWFKRNTLNKPVIMGRKTFESIGRPLPGRLNIVISSQPGTD-ERVTWAASI
target EDIYQLPGH---VFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 5hi6.1 EEALAFAGNAEEVMVMGGGRVYKQFLDRANRMYLTHIDAEVGGDTHFPDYEPDEWESVFSEFHDADEANSHSYCFEILER
target KK 5hi6.1 R-
|
|
5hi6.2.A |
Dihydrofolate reductase
The high resolution structure of dihydrofolate reductase from Yersinia pestis complex with methotrexate as closed form |
0.76 |
|
40.13 |
0.99 |
1-158 |
X-ray |
2.05 |
monomer |
1 x MTX, 1 x K |
BLAST |
0.40 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 5hi6.2 MIISLIAALAADRVIGMENAMPWHLPADLAWFKRNTLNKPVIMGRKTFESIGRPLPGRLNIVISSQPGTD-ERVTWAASI
target EDIYQLPGH---VFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 5hi6.2 EEALAFAGNAEEVMVMGGGRVYKQFLDRANRMYLTHIDAEVGGDTHFPDYEPDEWESVFSEFHDADEANSHSYCFEILER
target KK 5hi6.2 R-
|
|
8sze.1.A |
Dihydrofolate reductase
Crystal structure of Yersinia pestis dihydrofolate reductase in complex with Trimethoprim |
0.74 |
|
40.13 |
0.99 |
1-158 |
X-ray |
2.50 |
monomer |
1 x TOP |
BLAST |
0.40 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 8sze.1 MIISLIAALAADRVIGMENAMPWHLPADLAWFKRNTLNKPVIMGRKTFESIGRPLPGRLNIVISSQPGTD-ERVTWAASI
target EDIYQLPGH---VFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 8sze.1 EEALAFAGNAEEVMVMGGGRVYKQFLDRANRMYLTHIDAEVGGDTHFPDYEPDEWESVFSEFHDADEANSHSYCFEILER
target KK 8sze.1 R-
|
|
8szd.1.A |
Dihydrofolate reductase
Crystal structure of Yersinia pestis dihydrofolate reductase at 1.25-A resolution |
0.67 |
|
40.13 |
0.99 |
1-158 |
X-ray |
1.25 |
monomer |
1 x MG |
BLAST |
0.40 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 8szd.1 MIISLIAALAADRVIGMENAMPWHLPADLAWFKRNTLNKPVIMGRKTFESIGRPLPGRLNIVISSQPGTD-ERVTWAASI
target EDIYQLPGH---VFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 8szd.1 EEALAFAGNAEEVMVMGGGRVYKQFLDRANRMYLTHIDAEVGGDTHFPDYEPDEWESVFSEFHDADEANSHSYCFEILER
target KK 8szd.1 R-
|
|
4qi9.2.A |
Dihydrofolate reductase
Crystal structure of dihydrofolate reductase from Yersinia pestis complexed with methotrexate |
0.76 |
|
40.13 |
0.99 |
1-158 |
X-ray |
2.30 |
monomer |
1 x MTX |
BLAST |
0.40 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4qi9.2 MIISLIAALAADRVIGMENAMPWHLPADLAWFKRNTLNKPVIMGRKTFESIGRPLPGRLNIVISSQPGTD-ERVTWAASI
target EDIYQLPGH---VFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4qi9.2 EEALAFAGNAEEVMVMGGGRVYKQFLDRANRMYLTHIDAEVGGDTHFPDYEPDEWESVFSEFHDADEANSHSYCFEILER
target KK 4qi9.2 R-
|
|
4qi9.1.A |
Dihydrofolate reductase
Crystal structure of dihydrofolate reductase from Yersinia pestis complexed with methotrexate |
0.76 |
|
40.13 |
0.99 |
1-158 |
X-ray |
2.30 |
monomer |
1 x MTX |
BLAST |
0.40 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4qi9.1 MIISLIAALAADRVIGMENAMPWHLPADLAWFKRNTLNKPVIMGRKTFESIGRPLPGRLNIVISSQPGTD-ERVTWAASI
target EDIYQLPGH---VFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4qi9.1 EEALAFAGNAEEVMVMGGGRVYKQFLDRANRMYLTHIDAEVGGDTHFPDYEPDEWESVFSEFHDADEANSHSYCFEILER
target KK 4qi9.1 R-
|
|
4qi9.2.A |
Dihydrofolate reductase
Crystal structure of dihydrofolate reductase from Yersinia pestis complexed with methotrexate |
0.77 |
|
39.49 |
0.99 |
1-158 |
X-ray |
2.30 |
monomer |
1 x MTX |
HHblits |
0.40 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4qi9.2 MIISLIAALAADRVIGMENAMPWHLPADLAWFKRNTLNKPVIMGRKTFESIGRPLPGRLNIVISSQPGTD-ERVTWAASI
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4qi9.2 EEALAFAGNAEEVMVMGGGRVYKQFLDRANRMYLTHIDAEVGGDTHFPDYEPDEWESVFSEFHDADEANSHSYCFEILER
target KK 4qi9.2 R-
|
|
4qi9.1.A |
Dihydrofolate reductase
Crystal structure of dihydrofolate reductase from Yersinia pestis complexed with methotrexate |
0.76 |
|
39.49 |
0.99 |
1-158 |
X-ray |
2.30 |
monomer |
1 x MTX |
HHblits |
0.40 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4qi9.1 MIISLIAALAADRVIGMENAMPWHLPADLAWFKRNTLNKPVIMGRKTFESIGRPLPGRLNIVISSQPGTD-ERVTWAASI
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4qi9.1 EEALAFAGNAEEVMVMGGGRVYKQFLDRANRMYLTHIDAEVGGDTHFPDYEPDEWESVFSEFHDADEANSHSYCFEILER
target KK 4qi9.1 R-
|
|
8sze.1.A |
Dihydrofolate reductase
Crystal structure of Yersinia pestis dihydrofolate reductase in complex with Trimethoprim |
0.74 |
|
39.49 |
0.99 |
1-158 |
X-ray |
2.50 |
monomer |
1 x TOP |
HHblits |
0.40 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 8sze.1 MIISLIAALAADRVIGMENAMPWHLPADLAWFKRNTLNKPVIMGRKTFESIGRPLPGRLNIVISSQPGTD-ERVTWAASI
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 8sze.1 EEALAFAGNAEEVMVMGGGRVYKQFLDRANRMYLTHIDAEVGGDTHFPDYEPDEWESVFSEFHDADEANSHSYCFEILER
target KK 8sze.1 R-
|
|
8szd.1.A |
Dihydrofolate reductase
Crystal structure of Yersinia pestis dihydrofolate reductase at 1.25-A resolution |
0.68 |
|
39.49 |
0.99 |
1-158 |
X-ray |
1.25 |
monomer |
1 x MG |
HHblits |
0.40 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 8szd.1 MIISLIAALAADRVIGMENAMPWHLPADLAWFKRNTLNKPVIMGRKTFESIGRPLPGRLNIVISSQPGTD-ERVTWAASI
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 8szd.1 EEALAFAGNAEEVMVMGGGRVYKQFLDRANRMYLTHIDAEVGGDTHFPDYEPDEWESVFSEFHDADEANSHSYCFEILER
target KK 8szd.1 R-
|
|
3q1h.1.A |
Dihydrofolate reductase
Crystal Structure of Dihydrofolate Reductase from Yersinia pestis |
0.68 |
|
39.49 |
0.99 |
1-158 |
X-ray |
1.80 |
monomer |
|
HHblits |
0.40 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3q1h.1 MIISLIAALAADRVIGMENAMPWHLPADLAWFKRNTLNKPVIMGRKTFESIGRPLPGRLNIVISSQPGTD-ERVTWAASI
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 3q1h.1 EEALAFAGNAEEVMVMGGGRVYKQFLDRANRMYLTHIDAEVGGDTHFPDYEPDEWESVFSEFHDADEANSHSYCFEILER
target KK 3q1h.1 R-
|
|
5hi6.1.A |
Dihydrofolate reductase
The high resolution structure of dihydrofolate reductase from Yersinia pestis complex with methotrexate as closed form |
0.76 |
|
39.49 |
0.99 |
1-158 |
X-ray |
2.05 |
monomer |
1 x MTX, 1 x CA, 1 x K |
HHblits |
0.40 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 5hi6.1 MIISLIAALAADRVIGMENAMPWHLPADLAWFKRNTLNKPVIMGRKTFESIGRPLPGRLNIVISSQPGTD-ERVTWAASI
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 5hi6.1 EEALAFAGNAEEVMVMGGGRVYKQFLDRANRMYLTHIDAEVGGDTHFPDYEPDEWESVFSEFHDADEANSHSYCFEILER
target KK 5hi6.1 R-
|
|
5hi6.2.A |
Dihydrofolate reductase
The high resolution structure of dihydrofolate reductase from Yersinia pestis complex with methotrexate as closed form |
0.77 |
|
39.49 |
0.99 |
1-158 |
X-ray |
2.05 |
monomer |
1 x MTX, 1 x K |
HHblits |
0.40 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 5hi6.2 MIISLIAALAADRVIGMENAMPWHLPADLAWFKRNTLNKPVIMGRKTFESIGRPLPGRLNIVISSQPGTD-ERVTWAASI
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 5hi6.2 EEALAFAGNAEEVMVMGGGRVYKQFLDRANRMYLTHIDAEVGGDTHFPDYEPDEWESVFSEFHDADEANSHSYCFEILER
target KK 5hi6.2 R-
|
|
8f09.1.A |
Dihydrofolate reductase
Crystal structure of a trimethoprim-resistant dihydrofolate reductase (DHFR) enzyme from an uncultured soil bacterium |
0.76 |
|
36.08 |
0.99 |
1-158 |
X-ray |
2.45 |
monomer |
|
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 8f09.1 MIISLIAALTENRVIGKSNDLPWHLPDDMKYFMQTTLGHHVIMGRKNYESIPAKFRPLANRTNIVVTRQEEYDAAGCIVV
target HSIEDIYQL-----PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTF 8f09.1 NSIPAGIDIAIDNREAEVFIIGGAEIYTQSLAFANRLYLTEIQTSLEGDAFFPMFNKHEWNELSRKHHPLDEKHRYSFDF
target LHLIRKK 8f09.1 VIYEKK-
|
|
8f09.2.A |
Dihydrofolate reductase
Crystal structure of a trimethoprim-resistant dihydrofolate reductase (DHFR) enzyme from an uncultured soil bacterium |
0.75 |
|
36.08 |
0.99 |
1-158 |
X-ray |
2.45 |
monomer |
|
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 8f09.2 MIISLIAALTENRVIGKSNDLPWHLPDDMKYFMQTTLGHHVIMGRKNYESIPAKFRPLANRTNIVVTRQEEYDAAGCIVV
target HSIEDIYQL-----PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTF 8f09.2 NSIPAGIDIAIDNREAEVFIIGGAEIYTQSLAFANRLYLTEIQTSLEGDAFFPMFNKHEWNELSRKHHPLDEKHRYSFDF
target LHLIRKK 8f09.2 VIYEKK-
|
|
4m7u.1.A |
Dihydrofolate reductase
Dihydrofolate reductase from Enterococcus faecalis complexed with NADP(H) |
0.76 |
|
48.00 |
0.94 |
3-152 |
X-ray |
2.10 |
monomer |
1 x NAP |
BLAST |
0.43 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG-KPLPNRRNVVLTSDTSFNVEGVDVIHS 4m7u.1 --LAAIWAQDEQGVIGKEGKLPWHLPNDLKFFKEKTIHNTLVLGRATFEGMGCRPLPNRTTIVLTSNPDYQAEGVLVMHS
target IEDIY----QLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHL 4m7u.1 VEEILAYADKYEGVTVIGGGSVVFKELIPACDVLYRTMIHETFEGDTFFPEIDWSVWEKVATVPGVVDEKNLYAHDY---
target IRKK 4m7u.1 ----
|
|
4m7v.1.A |
Dihydrofolate reductase
Dihydrofolate reductase from Enterococcus faecalis complexed with NADP(H)and RAB-propyl |
0.76 |
|
48.00 |
0.94 |
3-152 |
X-ray |
2.30 |
monomer |
1 x RAR, 1 x NAP |
BLAST |
0.43 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG-KPLPNRRNVVLTSDTSFNVEGVDVIHS 4m7v.1 --LAAIWAQDEQGVIGKEGKLPWHLPNDLKFFKEKTIHNTLVLGRATFEGMGCRPLPNRTTIVLTSNPDYQAEGVLVMHS
target IEDIY----QLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHL 4m7v.1 VEEILAYADKYEGVTVIGGGSVVFKELIPACDVLYRTMIHETFEGDTFFPEIDWSVWEKVATVPGVVDEKNLYAHDY---
target IRKK 4m7v.1 ----
|
|
3ix9.1.A |
Dihydrofolate reductase
Crystal structure of Streptococcus pneumoniae dihydrofolate reductase - Sp9 mutant |
0.68 |
|
35.03 |
0.99 |
1-159 |
X-ray |
1.95 |
homo-dimer |
2 x NDP, 2 x MTX |
BLAST |
0.39 |
target MTLSILV--AHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKP-LPNRRNVVLTSDTSFNVEGVDVI 3ix9.1 MTKKIVAIWAQDEEGVIGKDNRLPWYLPAELQHFKETTLNHAILMGRVTFDGMGRRLLPKRETLILTRNPEEKIDGVATF
target HSIEDIYQL----PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPP-YTFEDWEVASSVEGKLDEKNTIPHTF 3ix9.1 HDVQSVLDWYSAQEKNLYIVGGKQIFQAFEPYLDEVIVTHIHARVEGDTYFPAEFDLSLFETVSSKFYTKDEKN--PYDF
target LHLIRKK 3ix9.1 TIQYRKR
|
|
3ix9.1.B |
Dihydrofolate reductase
Crystal structure of Streptococcus pneumoniae dihydrofolate reductase - Sp9 mutant |
0.69 |
|
35.03 |
0.99 |
1-159 |
X-ray |
1.95 |
homo-dimer |
2 x NDP, 2 x MTX |
BLAST |
0.39 |
target MTLSILV--AHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKP-LPNRRNVVLTSDTSFNVEGVDVI 3ix9.1 MTKKIVAIWAQDEEGVIGKDNRLPWYLPAELQHFKETTLNHAILMGRVTFDGMGRRLLPKRETLILTRNPEEKIDGVATF
target HSIEDIYQL----PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPP-YTFEDWEVASSVEGKLDEKNTIPHTF 3ix9.1 HDVQSVLDWYSAQEKNLYIVGGKQIFQAFEPYLDEVIVTHIHARVEGDTYFPAEFDLSLFETVSSKFYTKDEKN--PYDF
target LHLIRKK 3ix9.1 TIQYRKR
|
|
5uio.1.A |
Dihydrofolate reductase
structure of DHFR with bound DAP, p-ABG and NADP |
0.76 |
0.00 |
36.31 |
0.99 |
1-158 |
X-ray |
1.93 |
monomer |
1 x LG3, 1 x 8DM, 1 x NAP |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 5uio.1 MMISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 5uio.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 5uio.1 R-
|
|
5uio.4.A |
Dihydrofolate reductase
structure of DHFR with bound DAP, p-ABG and NADP |
0.79 |
0.00 |
36.31 |
0.99 |
1-158 |
X-ray |
1.93 |
monomer |
1 x LG3, 1 x 8DM, 1 x NAP |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 5uio.4 MMISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 5uio.4 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 5uio.4 R-
|
|
3ix9.1.A |
Dihydrofolate reductase
Crystal structure of Streptococcus pneumoniae dihydrofolate reductase - Sp9 mutant |
0.78 |
|
32.08 |
1.00 |
1-159 |
X-ray |
1.95 |
homo-dimer |
2 x NDP, 2 x MTX |
HHblits |
0.38 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG-KPLPNRRNVVLTSDTSFNVEGVDVIHS 3ix9.1 KKIVAIWAQDEEGVIGKDNRLPWYLPAELQHFKETTLNHAILMGRVTFDGMGRRLLPKRETLILTRNPEEKIDGVATFHD
target IEDIYQL----PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPP-YTFEDWEVASSVEGKLDEKNTIPHTFLH 3ix9.1 VQSVLDWYSAQEKNLYIVGGKQIFQAFEPYLDEVIVTHIHARVEGDTYFPAEFDLSLFETVSSKFYTKDEKNPYDFTIQY
target LIRKK 3ix9.1 RKRKE
|
|
3ix9.1.B |
Dihydrofolate reductase
Crystal structure of Streptococcus pneumoniae dihydrofolate reductase - Sp9 mutant |
0.79 |
|
32.08 |
1.00 |
1-159 |
X-ray |
1.95 |
homo-dimer |
2 x NDP, 2 x MTX |
HHblits |
0.38 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG-KPLPNRRNVVLTSDTSFNVEGVDVIHS 3ix9.1 KKIVAIWAQDEEGVIGKDNRLPWYLPAELQHFKETTLNHAILMGRVTFDGMGRRLLPKRETLILTRNPEEKIDGVATFHD
target IEDIYQL----PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPP-YTFEDWEVASSVEGKLDEKNTIPHTFLH 3ix9.1 VQSVLDWYSAQEKNLYIVGGKQIFQAFEPYLDEVIVTHIHARVEGDTYFPAEFDLSLFETVSSKFYTKDEKNPYDFTIQY
target LIRKK 3ix9.1 RKRKE
|
|
5uio.1.A |
Dihydrofolate reductase
structure of DHFR with bound DAP, p-ABG and NADP |
0.77 |
0.00 |
35.03 |
0.99 |
1-158 |
X-ray |
1.93 |
monomer |
1 x LG3, 1 x 8DM, 1 x NAP |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 5uio.1 MMISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 5uio.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 5uio.1 R-
|
|
5uio.4.A |
Dihydrofolate reductase
structure of DHFR with bound DAP, p-ABG and NADP |
0.80 |
0.00 |
35.03 |
0.99 |
1-158 |
X-ray |
1.93 |
monomer |
1 x LG3, 1 x 8DM, 1 x NAP |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 5uio.4 MMISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 5uio.4 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 5uio.4 R-
|
|
2d0k.1.A |
Dihydrofolate reductase
Methionine-free mutant of Escherichia coli dihydrofolate reductase |
0.75 |
0.00 |
36.54 |
0.98 |
2-158 |
X-ray |
1.90 |
monomer |
1 x FOL |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 2d0k.1 -AISLIAALAVDRVIGNENALPWNLPADLAWFKRNTLNKPVIYGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 2d0k.1 DEAIAAAGDVPEIFVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYSFEILER
target KK 2d0k.1 R-
|
|
2d0k.2.A |
Dihydrofolate reductase
Methionine-free mutant of Escherichia coli dihydrofolate reductase |
0.75 |
0.00 |
36.54 |
0.98 |
2-158 |
X-ray |
1.90 |
monomer |
1 x FOL |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 2d0k.2 -AISLIAALAVDRVIGNENALPWNLPADLAWFKRNTLNKPVIYGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 2d0k.2 DEAIAAAGDVPEIFVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYSFEILER
target KK 2d0k.2 R-
|
|
2d0k.1.A |
Dihydrofolate reductase
Methionine-free mutant of Escherichia coli dihydrofolate reductase |
0.75 |
|
35.26 |
0.98 |
2-158 |
X-ray |
1.90 |
monomer |
1 x FOL |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 2d0k.1 -AISLIAALAVDRVIGNENALPWNLPADLAWFKRNTLNKPVIYGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 2d0k.1 DEAIAAAGDVPEIFVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYSFEILER
target KK 2d0k.1 R-
|
|
2d0k.2.A |
Dihydrofolate reductase
Methionine-free mutant of Escherichia coli dihydrofolate reductase |
0.76 |
|
35.26 |
0.98 |
2-158 |
X-ray |
1.90 |
monomer |
1 x FOL |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 2d0k.2 -AISLIAALAVDRVIGNENALPWNLPADLAWFKRNTLNKPVIYGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 2d0k.2 DEAIAAAGDVPEIFVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYSFEILER
target KK 2d0k.2 R-
|
|
5uii.1.A |
Dihydrofolate reductase
structure of DHFR with bound buformin and NADP |
0.75 |
0.00 |
36.13 |
0.97 |
3-158 |
X-ray |
1.35 |
monomer |
1 x NAP, 1 x CA, 1 x BFR |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 5uii.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 5uii.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYSFEILER
target KK 5uii.1 R-
|
|
5uih.1.A |
Dihydrofolate reductase
structure of DHFR with bound phenformin and NADP |
0.75 |
0.00 |
34.62 |
0.98 |
2-158 |
X-ray |
1.65 |
monomer |
1 x 8CV, 1 x NAP |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 5uih.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 5uih.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 5uih.1 R-
|
|
6cxk.1.A |
Dihydrofolate reductase
E. coli DHFR substrate complex with Dihydrofolate |
0.75 |
|
34.62 |
0.98 |
2-158 |
X-ray |
1.11 |
monomer |
7 x MG, 1 x DHF |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 6cxk.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 6cxk.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 6cxk.1 R-
|
|
6cqa.1.A |
Dihydrofolate reductase
E. coli DHFR complex with inhibitor AMPQD |
0.74 |
|
34.62 |
0.98 |
2-158 |
X-ray |
2.20 |
monomer |
1 x PQD |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 6cqa.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 6cqa.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 6cqa.1 R-
|
|
6cyv.1.A |
Dihydrofolate reductase
E. coli DHFR ternary complex with NADP and dihydrofolate |
0.76 |
|
34.62 |
0.98 |
2-158 |
X-ray |
1.30 |
monomer |
1 x NAP, 1 x DHF |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 6cyv.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 6cyv.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 6cyv.1 R-
|
|
6xg5.1.A |
Dihydrofolate reductase
X-ray structure of Escherichia coli dihydrofolate reductase in complex with trimethoprim |
0.79 |
|
34.62 |
0.98 |
2-158 |
X-ray |
1.90 |
monomer |
1 x NDP, 1 x TOP |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 6xg5.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 6xg5.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 6xg5.1 R-
|
|
7f3b.1.A |
Dihydrofolate reductase
cocrystallization of Escherichia coli dihydrofolate reductase (DHFR) and its pyrrolo[3,2-f]quinazoline inhibitor. |
0.73 |
|
34.62 |
0.98 |
2-158 |
X-ray |
2.81 |
monomer |
1 x D4C |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 7f3b.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 7f3b.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 7f3b.1 R-
|
|
7mym.3.A |
Dihydrofolate reductase
Crystal structure of Escherichia coli dihydrofolate reductase in complex with TRIMETHOPRIM and NADPH |
0.79 |
|
34.62 |
0.98 |
2-158 |
X-ray |
3.04 |
monomer |
1 x NAP, 1 x TOP |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 7mym.3 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 7mym.3 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 7mym.3 R-
|
|
1dds.1.B |
DIHYDROFOLATE REDUCTASE
MOLECULE: DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH METHOTREXATE |
0.76 |
|
34.62 |
0.98 |
2-158 |
X-ray |
2.20 |
homo-dimer |
2 x MTX, 1 x CA |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 1dds.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 1dds.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 1dds.1 R-
|
|
4eiz.1.A |
Dihydrofolate reductase
Structure of Nb113 bound to apoDHFR |
0.75 |
|
34.62 |
0.98 |
2-158 |
X-ray |
2.20 |
hetero-oligomer |
|
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4eiz.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4eiz.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 4eiz.1 R-
|
|
3dau.1.A |
Dihydrofolate reductase
Crystal structure of the ternary MTX NADPH complex of Escherichia coli dihydrofolate reductase |
0.78 |
|
34.62 |
0.98 |
2-158 |
X-ray |
1.50 |
monomer |
1 x MTX, 1 x NDP |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3dau.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 3dau.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 3dau.1 R-
|
|
4pth.1.A |
Dihydrofolate reductase
Ensemble model for Escherichia coli dihydrofolate reductase at 100K |
0.78 |
|
34.62 |
0.98 |
2-158 |
X-ray |
0.85 |
monomer |
1 x FOL, 1 x NAP, 2 x MN |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4pth.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4pth.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 4pth.1 R-
|
|
5ccc.1.A |
Dihydrofolate reductase
wild-type E.coli dihydrofolate reductase complexed with 5,10-dideazatetrahydrofolate and oxidized nicotinamide adenine dinucleotide phosphate |
0.75 |
|
34.62 |
0.98 |
2-158 |
X-ray |
1.50 |
monomer |
1 x DDF, 1 x NAP |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 5ccc.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 5ccc.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 5ccc.1 R-
|
|
8ucx.1.A |
Dihydrofolate reductase
Dihydrofolate Reductase Complexed with Folate |
0.75 |
|
34.62 |
0.98 |
2-158 |
X-ray |
1.57 |
monomer |
1 x FOL, 3 x MN |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 8ucx.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 8ucx.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 8ucx.1 R-
|
|
4p3q.1.A |
Dihydrofolate reductase
Room-temperature WT DHFR, time-averaged ensemble |
0.79 |
|
34.62 |
0.98 |
2-158 |
X-ray |
1.35 |
monomer |
1 x FOL, 1 x CA, 1 x NAP |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4p3q.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4p3q.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 4p3q.1 R-
|
|
4p3r.1.A |
Dihydrofolate reductase
Cryogenic WT DHFR, time-averaged ensemble |
0.79 |
|
34.62 |
0.98 |
2-158 |
X-ray |
1.15 |
monomer |
1 x FOL, 1 x NAP |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4p3r.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4p3r.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 4p3r.1 R-
|
|
1ddr.1.A |
DIHYDROFOLATE REDUCTASE
MOLECULE: DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH METHOTREXATE AND UREA |
0.74 |
|
34.62 |
0.98 |
2-158 |
X-ray |
2.45 |
homo-dimer |
2 x MTX, 1 x CA |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 1ddr.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 1ddr.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 1ddr.1 R-
|
|
1ddr.1.B |
DIHYDROFOLATE REDUCTASE
MOLECULE: DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH METHOTREXATE AND UREA |
0.75 |
|
34.62 |
0.98 |
2-158 |
X-ray |
2.45 |
homo-dimer |
2 x MTX, 1 x CA |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 1ddr.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 1ddr.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 1ddr.1 R-
|
|
4kjk.1.A |
Dihydrofolate reductase
Room Temperature WT DHFR |
0.79 |
|
34.62 |
0.98 |
2-158 |
X-ray |
1.35 |
monomer |
1 x FOL, 1 x CA, 1 x NAP |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4kjk.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4kjk.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 4kjk.1 R-
|
|
4eig.1.A |
Dihydrofolate reductase
CA1698 camel antibody fragment in complex with DHFR |
0.74 |
|
34.62 |
0.98 |
2-158 |
X-ray |
2.50 |
hetero-1-1-mer |
|
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4eig.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4eig.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 4eig.1 R-
|
|
4ptj.1.A |
Dihydrofolate reductase
Ensemble model for Escherichia coli dihydrofolate reductase at 277K |
0.78 |
|
34.62 |
0.98 |
2-158 |
X-ray |
1.05 |
monomer |
1 x FOL, 1 x NAP, 2 x MN |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4ptj.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4ptj.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 4ptj.1 R-
|
|
3k74.1.A |
Dihydrofolate reductase
Disruption of protein dynamics by an allosteric effector antibody |
0.74 |
|
34.62 |
0.98 |
2-158 |
X-ray |
1.95 |
hetero-1-1-mer |
|
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3k74.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 3k74.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 3k74.1 R-
|
|
1tdr.1.B |
TELLUROMETHIONYL DIHYDROFOLATE REDUCTASE
EXPRESSION, CHARACTERIZATION, AND CRYSTALLOGRAPHIC ANALYSIS OF TELLUROMETHIONYL DIHYDROFOLATE REDUCTASE |
0.76 |
|
34.62 |
0.98 |
2-158 |
X-ray |
2.50 |
homo-dimer |
2 x MTX, 4 x TE, 1 x CA |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 1tdr.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 1tdr.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFKILER
target KK 1tdr.1 R-
|
|
1tdr.1.A |
TELLUROMETHIONYL DIHYDROFOLATE REDUCTASE
EXPRESSION, CHARACTERIZATION, AND CRYSTALLOGRAPHIC ANALYSIS OF TELLUROMETHIONYL DIHYDROFOLATE REDUCTASE |
0.75 |
|
34.62 |
0.98 |
2-158 |
X-ray |
2.50 |
homo-dimer |
2 x MTX, 4 x TE, 1 x CA |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 1tdr.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 1tdr.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFKILER
target KK 1tdr.1 R-
|
|
7nae.1.A |
Dihydrofolate reductase
Crystal structure of Escherichia coli dihydrofolate reductase in complex with TRIMETHOPRIM |
0.74 |
|
34.62 |
0.98 |
2-158 |
X-ray |
2.35 |
homo-dimer |
2 x TOP |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 7nae.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 7nae.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 7nae.1 R-
|
|
4x5i.1.A |
Dihydrofolate reductase
ecDHFR complexed with folate and NADP+ at 660 MPa |
0.75 |
|
34.62 |
0.98 |
2-158 |
X-ray |
1.80 |
monomer |
1 x FOL, 1 x NAP |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4x5i.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4x5i.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 4x5i.1 R-
|
|
5z6k.1.A |
Dihydrofolate reductase
High-pressure Crystal Structure Analysis of M20 loop closed DHFR at 400 MPa |
0.79 |
|
34.62 |
0.98 |
2-158 |
X-ray |
1.80 |
monomer |
1 x FOL, 1 x NAP |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 5z6k.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 5z6k.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 5z6k.1 R-
|
|
5z6l.1.A |
Dihydrofolate reductase
High-pressure Crystal Structure Analysis of M20 loop closed DHFR at 650 MPa |
0.77 |
|
34.62 |
0.98 |
2-158 |
X-ray |
1.90 |
monomer |
1 x FOL, 1 x NAP |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 5z6l.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 5z6l.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 5z6l.1 R-
|
|
5z6m.1.A |
Dihydrofolate reductase
High-pressure Crystal Structure Analysis of M20 loop closed DHFR at 800 MPa |
0.75 |
|
34.62 |
0.98 |
2-158 |
X-ray |
2.20 |
monomer |
1 x FOL, 1 x NAP |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 5z6m.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 5z6m.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 5z6m.1 R-
|
|
8v9r.1.G |
Dihydrofolate reductase
Cryo-EM Structure of a Proteolytic ClpXP AAA+ Machine Poised to Unfold a Branched-Degron DHFR-ssrA Substrate Bound with MTX |
0.74 |
|
34.62 |
0.98 |
2-158 |
EM |
0.00 |
hetero-6-1-14-mer |
3 x ATP, 4 x MG, 3 x ADP, 1 x MTX |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 8v9r.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 8v9r.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 8v9r.1 R-
|
|
1rb2.1.A |
DIHYDROFOLATE REDUCTASE
DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (OXIDIZED FORM) |
0.76 |
|
34.62 |
0.98 |
2-158 |
X-ray |
2.10 |
homo-dimer |
2 x FOL, 2 x NAP |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 1rb2.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 1rb2.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 1rb2.1 R-
|
|
2inq.1.A |
Dihydrofolate reductase
Neutron Crystal Structure of Escherichia coli Dihydrofolate Reductase Bound to the Anti-cancer drug, Methotrexate |
0.71 |
|
34.62 |
0.98 |
2-158 |
neutron diff. |
2.20 |
monomer |
1 x MT1 |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 2inq.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 2inq.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 2inq.1 R-
|
|
1rh3.1.A |
DIHYDROFOLATE REDUCTASE
DIHYDROFOLATE REDUCTASE COMPLEXED WITH METHOTREXATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (REDUCED FORM) |
0.78 |
|
34.62 |
0.98 |
2-158 |
X-ray |
2.40 |
monomer |
1 x MTX, 1 x NAP |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 1rh3.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 1rh3.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 1rh3.1 R-
|
|
3kfy.1.A |
Dihydrofolate reductase
Dynamic switching and partial occupancies of a small molecule inhibitor complex of DHFR |
0.78 |
|
34.62 |
0.98 |
2-158 |
X-ray |
2.08 |
monomer |
1 x NDP, 1 x JZM, 3 x CA |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3kfy.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 3kfy.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 3kfy.1 R-
|
|
1rf7.1.A |
DIHYDROFOLATE REDUCTASE
STRUCTURE OF DIHYDROFOLATE REDUCTASE COMPLEXED WITH DIHYDROFOLATE |
0.76 |
|
34.62 |
0.98 |
2-158 |
X-ray |
1.80 |
monomer |
1 x MN, 2 x DHF |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 1rf7.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 1rf7.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 1rf7.1 R-
|
|
3r33.1.A |
Dihydrofolate reductase
Evidence for dynamic motion in proteins as a mechanism for ligand dissociation |
0.79 |
|
34.62 |
0.98 |
2-158 |
X-ray |
2.09 |
monomer |
1 x 6ME, 1 x NDP, 16 x CA |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3r33.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 3r33.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 3r33.1 R-
|
|
1rg7.1.A |
DIHYDROFOLATE REDUCTASE
DIHYDROFOLATE REDUCTASE COMPLEXED WITH METHOTREXATE |
0.73 |
|
34.62 |
0.98 |
2-158 |
X-ray |
2.00 |
monomer |
1 x MTX |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 1rg7.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 1rg7.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 1rg7.1 R-
|
|
4qlg.1.A |
Dihydrofolate reductase
Crystal structure of I14V DHFR mutant complexed with folate and NADP+ |
0.76 |
|
33.97 |
0.98 |
2-158 |
X-ray |
1.50 |
monomer |
1 x FOL, 1 x NAP |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4qlg.1 -MISLIAALAVDRVVGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4qlg.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 4qlg.1 R-
|
|
7mqp.1.A |
Dihydrofolate reductase
E. coli dihydrofolate reductase complexed with 4'-chloro-3'-(4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl)-[1,1'-biphenyl]-4-carboxamide (UCP1228) |
0.74 |
|
34.62 |
0.98 |
2-158 |
X-ray |
2.10 |
homo-dimer |
2 x ZM4 |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 7mqp.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 7mqp.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 7mqp.1 R-
|
|
1dhj.1.A |
DIHYDROFOLATE REDUCTASE
LONG-RANGE STRUCTURAL EFFECTS IN A SECOND-SITE REVERTANT OF A MUTANT DIHYDROFOLATE REDUCTASE |
0.75 |
|
34.62 |
0.98 |
2-158 |
X-ray |
1.80 |
homo-dimer |
2 x MTX, 1 x CA |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 1dhj.1 -MISLIAALAVDRVIGMENAMPWNLPASLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 1dhj.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVSSEFHDADAQNSHSYCFEILER
target KK 1dhj.1 R-
|
|
1dhj.1.B |
DIHYDROFOLATE REDUCTASE
LONG-RANGE STRUCTURAL EFFECTS IN A SECOND-SITE REVERTANT OF A MUTANT DIHYDROFOLATE REDUCTASE |
0.76 |
|
34.62 |
0.98 |
2-158 |
X-ray |
1.80 |
homo-dimer |
2 x MTX, 1 x CA |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 1dhj.1 -MISLIAALAVDRVIGMENAMPWNLPASLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 1dhj.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVSSEFHDADAQNSHSYCFEILER
target KK 1dhj.1 R-
|
|
1tdr.1.B |
TELLUROMETHIONYL DIHYDROFOLATE REDUCTASE
EXPRESSION, CHARACTERIZATION, AND CRYSTALLOGRAPHIC ANALYSIS OF TELLUROMETHIONYL DIHYDROFOLATE REDUCTASE |
0.74 |
|
36.13 |
0.97 |
3-158 |
X-ray |
2.50 |
homo-dimer |
2 x MTX, 4 x TE, 1 x CA |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 1tdr.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 1tdr.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFKILER
target KK 1tdr.1 R-
|
|
1tdr.1.A |
TELLUROMETHIONYL DIHYDROFOLATE REDUCTASE
EXPRESSION, CHARACTERIZATION, AND CRYSTALLOGRAPHIC ANALYSIS OF TELLUROMETHIONYL DIHYDROFOLATE REDUCTASE |
0.73 |
|
36.13 |
0.97 |
3-158 |
X-ray |
2.50 |
homo-dimer |
2 x MTX, 4 x TE, 1 x CA |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 1tdr.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 1tdr.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFKILER
target KK 1tdr.1 R-
|
|
7mym.3.A |
Dihydrofolate reductase
Crystal structure of Escherichia coli dihydrofolate reductase in complex with TRIMETHOPRIM and NADPH |
0.78 |
|
36.13 |
0.97 |
3-158 |
X-ray |
3.04 |
monomer |
1 x NAP, 1 x TOP |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 7mym.3 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 7mym.3 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 7mym.3 R-
|
|
1dds.1.B |
DIHYDROFOLATE REDUCTASE
MOLECULE: DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH METHOTREXATE |
0.75 |
|
36.13 |
0.97 |
3-158 |
X-ray |
2.20 |
homo-dimer |
2 x MTX, 1 x CA |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 1dds.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 1dds.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 1dds.1 R-
|
|
4eiz.1.A |
Dihydrofolate reductase
Structure of Nb113 bound to apoDHFR |
0.73 |
|
36.13 |
0.97 |
3-158 |
X-ray |
2.20 |
hetero-oligomer |
|
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4eiz.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4eiz.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 4eiz.1 R-
|
|
3dau.1.A |
Dihydrofolate reductase
Crystal structure of the ternary MTX NADPH complex of Escherichia coli dihydrofolate reductase |
0.77 |
|
36.13 |
0.97 |
3-158 |
X-ray |
1.50 |
monomer |
1 x MTX, 1 x NDP |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3dau.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 3dau.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 3dau.1 R-
|
|
4pth.1.A |
Dihydrofolate reductase
Ensemble model for Escherichia coli dihydrofolate reductase at 100K |
0.77 |
|
36.13 |
0.97 |
3-158 |
X-ray |
0.85 |
monomer |
1 x FOL, 1 x NAP, 2 x MN |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4pth.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4pth.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 4pth.1 R-
|
|
5ccc.1.A |
Dihydrofolate reductase
wild-type E.coli dihydrofolate reductase complexed with 5,10-dideazatetrahydrofolate and oxidized nicotinamide adenine dinucleotide phosphate |
0.74 |
|
36.13 |
0.97 |
3-158 |
X-ray |
1.50 |
monomer |
1 x DDF, 1 x NAP |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 5ccc.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 5ccc.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 5ccc.1 R-
|
|
8ucx.1.A |
Dihydrofolate reductase
Dihydrofolate Reductase Complexed with Folate |
0.74 |
|
36.13 |
0.97 |
3-158 |
X-ray |
1.57 |
monomer |
1 x FOL, 3 x MN |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 8ucx.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 8ucx.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 8ucx.1 R-
|
|
4p3q.1.A |
Dihydrofolate reductase
Room-temperature WT DHFR, time-averaged ensemble |
0.78 |
|
36.13 |
0.97 |
3-158 |
X-ray |
1.35 |
monomer |
1 x FOL, 1 x CA, 1 x NAP |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4p3q.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4p3q.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 4p3q.1 R-
|
|
4p3r.1.A |
Dihydrofolate reductase
Cryogenic WT DHFR, time-averaged ensemble |
0.78 |
|
36.13 |
0.97 |
3-158 |
X-ray |
1.15 |
monomer |
1 x FOL, 1 x NAP |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4p3r.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4p3r.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 4p3r.1 R-
|
|
1ddr.1.A |
DIHYDROFOLATE REDUCTASE
MOLECULE: DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH METHOTREXATE AND UREA |
0.73 |
|
36.13 |
0.97 |
3-158 |
X-ray |
2.45 |
homo-dimer |
2 x MTX, 1 x CA |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 1ddr.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 1ddr.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 1ddr.1 R-
|
|
1ddr.1.B |
DIHYDROFOLATE REDUCTASE
MOLECULE: DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH METHOTREXATE AND UREA |
0.74 |
|
36.13 |
0.97 |
3-158 |
X-ray |
2.45 |
homo-dimer |
2 x MTX, 1 x CA |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 1ddr.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 1ddr.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 1ddr.1 R-
|
|
4kjk.1.A |
Dihydrofolate reductase
Room Temperature WT DHFR |
0.77 |
|
36.13 |
0.97 |
3-158 |
X-ray |
1.35 |
monomer |
1 x FOL, 1 x CA, 1 x NAP |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4kjk.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4kjk.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 4kjk.1 R-
|
|
4eig.1.A |
Dihydrofolate reductase
CA1698 camel antibody fragment in complex with DHFR |
0.73 |
|
36.13 |
0.97 |
3-158 |
X-ray |
2.50 |
hetero-1-1-mer |
|
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4eig.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4eig.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 4eig.1 R-
|
|
4ptj.1.A |
Dihydrofolate reductase
Ensemble model for Escherichia coli dihydrofolate reductase at 277K |
0.77 |
|
36.13 |
0.97 |
3-158 |
X-ray |
1.05 |
monomer |
1 x FOL, 1 x NAP, 2 x MN |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4ptj.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4ptj.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 4ptj.1 R-
|
|
3k74.1.A |
Dihydrofolate reductase
Disruption of protein dynamics by an allosteric effector antibody |
0.73 |
|
36.13 |
0.97 |
3-158 |
X-ray |
1.95 |
hetero-1-1-mer |
|
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3k74.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 3k74.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 3k74.1 R-
|
|
7nae.1.A |
Dihydrofolate reductase
Crystal structure of Escherichia coli dihydrofolate reductase in complex with TRIMETHOPRIM |
0.72 |
|
36.13 |
0.97 |
3-158 |
X-ray |
2.35 |
homo-dimer |
2 x TOP |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 7nae.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 7nae.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 7nae.1 R-
|
|
4x5i.1.A |
Dihydrofolate reductase
ecDHFR complexed with folate and NADP+ at 660 MPa |
0.74 |
|
36.13 |
0.97 |
3-158 |
X-ray |
1.80 |
monomer |
1 x FOL, 1 x NAP |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4x5i.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4x5i.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 4x5i.1 R-
|
|
5z6k.1.A |
Dihydrofolate reductase
High-pressure Crystal Structure Analysis of M20 loop closed DHFR at 400 MPa |
0.78 |
|
36.13 |
0.97 |
3-158 |
X-ray |
1.80 |
monomer |
1 x FOL, 1 x NAP |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 5z6k.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 5z6k.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 5z6k.1 R-
|
|
5z6l.1.A |
Dihydrofolate reductase
High-pressure Crystal Structure Analysis of M20 loop closed DHFR at 650 MPa |
0.76 |
|
36.13 |
0.97 |
3-158 |
X-ray |
1.90 |
monomer |
1 x FOL, 1 x NAP |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 5z6l.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 5z6l.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 5z6l.1 R-
|
|
5z6m.1.A |
Dihydrofolate reductase
High-pressure Crystal Structure Analysis of M20 loop closed DHFR at 800 MPa |
0.74 |
|
36.13 |
0.97 |
3-158 |
X-ray |
2.20 |
monomer |
1 x FOL, 1 x NAP |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 5z6m.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 5z6m.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 5z6m.1 R-
|
|
6cxk.1.A |
Dihydrofolate reductase
E. coli DHFR substrate complex with Dihydrofolate |
0.74 |
|
36.13 |
0.97 |
3-158 |
X-ray |
1.11 |
monomer |
7 x MG, 1 x DHF |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 6cxk.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 6cxk.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 6cxk.1 R-
|
|
6cqa.1.A |
Dihydrofolate reductase
E. coli DHFR complex with inhibitor AMPQD |
0.73 |
|
36.13 |
0.97 |
3-158 |
X-ray |
2.20 |
monomer |
1 x PQD |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 6cqa.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 6cqa.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 6cqa.1 R-
|
|
6cyv.1.A |
Dihydrofolate reductase
E. coli DHFR ternary complex with NADP and dihydrofolate |
0.75 |
|
36.13 |
0.97 |
3-158 |
X-ray |
1.30 |
monomer |
1 x NAP, 1 x DHF |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 6cyv.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 6cyv.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 6cyv.1 R-
|
|
6xg5.1.A |
Dihydrofolate reductase
X-ray structure of Escherichia coli dihydrofolate reductase in complex with trimethoprim |
0.77 |
|
36.13 |
0.97 |
3-158 |
X-ray |
1.90 |
monomer |
1 x NDP, 1 x TOP |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 6xg5.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 6xg5.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 6xg5.1 R-
|
|
7f3b.1.A |
Dihydrofolate reductase
cocrystallization of Escherichia coli dihydrofolate reductase (DHFR) and its pyrrolo[3,2-f]quinazoline inhibitor. |
0.71 |
|
36.13 |
0.97 |
3-158 |
X-ray |
2.81 |
monomer |
1 x D4C |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 7f3b.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 7f3b.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 7f3b.1 R-
|
|
5uih.1.A |
Dihydrofolate reductase
structure of DHFR with bound phenformin and NADP |
0.74 |
|
36.13 |
0.97 |
3-158 |
X-ray |
1.65 |
monomer |
1 x 8CV, 1 x NAP |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 5uih.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 5uih.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 5uih.1 R-
|
|
4or7.1.A |
Dihydrofolate reductase
Klebsiella pneumoniae dihydrofolate reductase complexed with NADPH and 6-ethyl-5-{3-[3-(pyrimidin-5-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine |
0.78 |
|
35.26 |
0.98 |
2-158 |
X-ray |
1.76 |
monomer |
1 x NAP, 1 x 25U |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4or7.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVVMGRLTWESIGRPLPGRKNIVISSKPGSD-DRVQWVSSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4or7.1 EEAIAACGDVEEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYDPDEWESVFSEFHDADAQNSHSYCFEILER
target KK 4or7.1 R-
|
|
4osg.1.A |
Dihydrofolate reductase
Klebsiella pneumoniae complexed with NADPH and 6-ethyl-5-[(3R)-3-[3-methoxyl-5-(pyridine-4-yl)phenyl]but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP1006) |
0.77 |
|
35.26 |
0.98 |
2-158 |
X-ray |
2.70 |
monomer |
1 x NAP, 1 x 06U |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4osg.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVVMGRLTWESIGRPLPGRKNIVISSKPGSD-DRVQWVSSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4osg.1 EEAIAACGDVEEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYDPDEWESVFSEFHDADAQNSHSYCFEILER
target KK 4osg.1 R-
|
|
4osg.2.A |
Dihydrofolate reductase
Klebsiella pneumoniae complexed with NADPH and 6-ethyl-5-[(3R)-3-[3-methoxyl-5-(pyridine-4-yl)phenyl]but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP1006) |
0.77 |
|
35.26 |
0.98 |
2-158 |
X-ray |
2.70 |
monomer |
1 x NAP, 1 x 06U, 1 x CAC |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4osg.2 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVVMGRLTWESIGRPLPGRKNIVISSKPGSD-DRVQWVSSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4osg.2 EEAIAACGDVEEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYDPDEWESVFSEFHDADAQNSHSYCFEILER
target KK 4osg.2 R-
|
|
4osg.3.A |
Dihydrofolate reductase
Klebsiella pneumoniae complexed with NADPH and 6-ethyl-5-[(3R)-3-[3-methoxyl-5-(pyridine-4-yl)phenyl]but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP1006) |
0.77 |
|
35.26 |
0.98 |
2-158 |
X-ray |
2.70 |
monomer |
1 x NAP, 1 x 06U, 1 x CA |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4osg.3 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVVMGRLTWESIGRPLPGRKNIVISSKPGSD-DRVQWVSSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4osg.3 EEAIAACGDVEEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYDPDEWESVFSEFHDADAQNSHSYCFEILER
target KK 4osg.3 R-
|
|
4osg.4.A |
Dihydrofolate reductase
Klebsiella pneumoniae complexed with NADPH and 6-ethyl-5-[(3R)-3-[3-methoxyl-5-(pyridine-4-yl)phenyl]but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP1006) |
0.77 |
|
35.26 |
0.98 |
2-158 |
X-ray |
2.70 |
monomer |
1 x NAP, 1 x 06U, 1 x CAC |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4osg.4 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVVMGRLTWESIGRPLPGRKNIVISSKPGSD-DRVQWVSSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4osg.4 EEAIAACGDVEEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYDPDEWESVFSEFHDADAQNSHSYCFEILER
target KK 4osg.4 R-
|
|
1dhj.1.A |
DIHYDROFOLATE REDUCTASE
LONG-RANGE STRUCTURAL EFFECTS IN A SECOND-SITE REVERTANT OF A MUTANT DIHYDROFOLATE REDUCTASE |
0.74 |
|
36.13 |
0.97 |
3-158 |
X-ray |
1.80 |
homo-dimer |
2 x MTX, 1 x CA |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 1dhj.1 --ISLIAALAVDRVIGMENAMPWNLPASLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 1dhj.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVSSEFHDADAQNSHSYCFEILER
target KK 1dhj.1 R-
|
|
1dhj.1.B |
DIHYDROFOLATE REDUCTASE
LONG-RANGE STRUCTURAL EFFECTS IN A SECOND-SITE REVERTANT OF A MUTANT DIHYDROFOLATE REDUCTASE |
0.75 |
|
36.13 |
0.97 |
3-158 |
X-ray |
1.80 |
homo-dimer |
2 x MTX, 1 x CA |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 1dhj.1 --ISLIAALAVDRVIGMENAMPWNLPASLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 1dhj.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVSSEFHDADAQNSHSYCFEILER
target KK 1dhj.1 R-
|
|
1rb2.1.A |
DIHYDROFOLATE REDUCTASE
DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (OXIDIZED FORM) |
0.75 |
|
36.13 |
0.97 |
3-158 |
X-ray |
2.10 |
homo-dimer |
2 x FOL, 2 x NAP |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 1rb2.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 1rb2.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 1rb2.1 R-
|
|
2inq.1.A |
Dihydrofolate reductase
Neutron Crystal Structure of Escherichia coli Dihydrofolate Reductase Bound to the Anti-cancer drug, Methotrexate |
0.70 |
|
36.13 |
0.97 |
3-158 |
neutron diff. |
2.20 |
monomer |
1 x MT1 |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 2inq.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 2inq.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 2inq.1 R-
|
|
1rh3.1.A |
DIHYDROFOLATE REDUCTASE
DIHYDROFOLATE REDUCTASE COMPLEXED WITH METHOTREXATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (REDUCED FORM) |
0.77 |
|
36.13 |
0.97 |
3-158 |
X-ray |
2.40 |
monomer |
1 x MTX, 1 x NAP |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 1rh3.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 1rh3.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 1rh3.1 R-
|
|
3kfy.1.A |
Dihydrofolate reductase
Dynamic switching and partial occupancies of a small molecule inhibitor complex of DHFR |
0.77 |
|
36.13 |
0.97 |
3-158 |
X-ray |
2.08 |
monomer |
1 x NDP, 1 x JZM, 3 x CA |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3kfy.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 3kfy.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 3kfy.1 R-
|
|
1rf7.1.A |
DIHYDROFOLATE REDUCTASE
STRUCTURE OF DIHYDROFOLATE REDUCTASE COMPLEXED WITH DIHYDROFOLATE |
0.75 |
|
36.13 |
0.97 |
3-158 |
X-ray |
1.80 |
monomer |
1 x MN, 2 x DHF |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 1rf7.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 1rf7.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 1rf7.1 R-
|
|
3r33.1.A |
Dihydrofolate reductase
Evidence for dynamic motion in proteins as a mechanism for ligand dissociation |
0.77 |
|
36.13 |
0.97 |
3-158 |
X-ray |
2.09 |
monomer |
1 x 6ME, 1 x NDP, 16 x CA |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3r33.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 3r33.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 3r33.1 R-
|
|
1rg7.1.A |
DIHYDROFOLATE REDUCTASE
DIHYDROFOLATE REDUCTASE COMPLEXED WITH METHOTREXATE |
0.72 |
|
36.13 |
0.97 |
3-158 |
X-ray |
2.00 |
monomer |
1 x MTX |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 1rg7.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 1rg7.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 1rg7.1 R-
|
|
4p68.1.A |
Dihydrofolate reductase
Electrostatics of Active Site Microenvironments for E. coli DHFR |
0.77 |
|
35.48 |
0.97 |
3-158 |
X-ray |
2.26 |
monomer |
1 x MTX, 1 x NAP, 1 x CA |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4p68.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPCPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4p68.1 DEAIAAAGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYSFEILER
target KK 4p68.1 R-
|
|
7mqp.1.A |
Dihydrofolate reductase
E. coli dihydrofolate reductase complexed with 4'-chloro-3'-(4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl)-[1,1'-biphenyl]-4-carboxamide (UCP1228) |
0.72 |
|
36.13 |
0.97 |
3-158 |
X-ray |
2.10 |
homo-dimer |
2 x ZM4 |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 7mqp.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 7mqp.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 7mqp.1 R-
|
|
4qlg.1.A |
Dihydrofolate reductase
Crystal structure of I14V DHFR mutant complexed with folate and NADP+ |
0.75 |
|
35.48 |
0.97 |
3-158 |
X-ray |
1.50 |
monomer |
1 x FOL, 1 x NAP |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4qlg.1 --ISLIAALAVDRVVGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4qlg.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 4qlg.1 R-
|
|
9c87.1.G |
Dihydrofolate reductase
Cryo-EM Structure of a Proteolytic ClpXP AAA+ Machine Poised to Unfold a Linear-Degron DHFR-ssrA Substrate Bound with MTX |
0.65 |
|
36.13 |
0.97 |
3-158 |
EM |
0.00 |
hetero-6-1-14-mer |
3 x ATP, 4 x MG, 3 x ADP, 1 x MTX |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 9c87.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 9c87.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 9c87.1 R-
|
|
8v9r.1.G |
Dihydrofolate reductase
Cryo-EM Structure of a Proteolytic ClpXP AAA+ Machine Poised to Unfold a Branched-Degron DHFR-ssrA Substrate Bound with MTX |
0.73 |
|
36.13 |
0.97 |
3-158 |
EM |
0.00 |
hetero-6-1-14-mer |
3 x ATP, 4 x MG, 3 x ADP, 1 x MTX |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 8v9r.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 8v9r.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 8v9r.1 R-
|
|
4p68.1.A |
Dihydrofolate reductase
Electrostatics of Active Site Microenvironments for E. coli DHFR |
0.79 |
|
33.97 |
0.98 |
2-158 |
X-ray |
2.26 |
monomer |
1 x MTX, 1 x NAP, 1 x CA |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4p68.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPCPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4p68.1 DEAIAAAGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYSFEILER
target KK 4p68.1 R-
|
|
4p66.1.A |
Dihydrofolate reductase
Electrostatics of Active Site Microenvironments of E. coli DHFR |
0.78 |
|
35.48 |
0.97 |
3-158 |
X-ray |
1.84 |
monomer |
1 x MTX, 1 x NAP, 1 x CA |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4p66.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHCWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4p66.1 DEAIAAAGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYSFEILER
target KK 4p66.1 R-
|
|
4or7.1.A |
Dihydrofolate reductase
Klebsiella pneumoniae dihydrofolate reductase complexed with NADPH and 6-ethyl-5-{3-[3-(pyrimidin-5-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine |
0.77 |
|
36.77 |
0.97 |
3-158 |
X-ray |
1.76 |
monomer |
1 x NAP, 1 x 25U |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4or7.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVVMGRLTWESIGRPLPGRKNIVISSKPGSD-DRVQWVSSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4or7.1 EEAIAACGDVEEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYDPDEWESVFSEFHDADAQNSHSYCFEILER
target KK 4or7.1 R-
|
|
4osg.1.A |
Dihydrofolate reductase
Klebsiella pneumoniae complexed with NADPH and 6-ethyl-5-[(3R)-3-[3-methoxyl-5-(pyridine-4-yl)phenyl]but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP1006) |
0.76 |
|
36.77 |
0.97 |
3-158 |
X-ray |
2.70 |
monomer |
1 x NAP, 1 x 06U |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4osg.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVVMGRLTWESIGRPLPGRKNIVISSKPGSD-DRVQWVSSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4osg.1 EEAIAACGDVEEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYDPDEWESVFSEFHDADAQNSHSYCFEILER
target KK 4osg.1 R-
|
|
4osg.2.A |
Dihydrofolate reductase
Klebsiella pneumoniae complexed with NADPH and 6-ethyl-5-[(3R)-3-[3-methoxyl-5-(pyridine-4-yl)phenyl]but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP1006) |
0.76 |
|
36.77 |
0.97 |
3-158 |
X-ray |
2.70 |
monomer |
1 x NAP, 1 x 06U, 1 x CAC |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4osg.2 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVVMGRLTWESIGRPLPGRKNIVISSKPGSD-DRVQWVSSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4osg.2 EEAIAACGDVEEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYDPDEWESVFSEFHDADAQNSHSYCFEILER
target KK 4osg.2 R-
|
|
4osg.3.A |
Dihydrofolate reductase
Klebsiella pneumoniae complexed with NADPH and 6-ethyl-5-[(3R)-3-[3-methoxyl-5-(pyridine-4-yl)phenyl]but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP1006) |
0.76 |
|
36.77 |
0.97 |
3-158 |
X-ray |
2.70 |
monomer |
1 x NAP, 1 x 06U, 1 x CA |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4osg.3 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVVMGRLTWESIGRPLPGRKNIVISSKPGSD-DRVQWVSSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4osg.3 EEAIAACGDVEEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYDPDEWESVFSEFHDADAQNSHSYCFEILER
target KK 4osg.3 R-
|
|
4osg.4.A |
Dihydrofolate reductase
Klebsiella pneumoniae complexed with NADPH and 6-ethyl-5-[(3R)-3-[3-methoxyl-5-(pyridine-4-yl)phenyl]but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP1006) |
0.75 |
|
36.77 |
0.97 |
3-158 |
X-ray |
2.70 |
monomer |
1 x NAP, 1 x 06U, 1 x CAC |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4osg.4 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVVMGRLTWESIGRPLPGRKNIVISSKPGSD-DRVQWVSSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4osg.4 EEAIAACGDVEEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYDPDEWESVFSEFHDADAQNSHSYCFEILER
target KK 4osg.4 R-
|
|
4p66.1.A |
Dihydrofolate reductase
Electrostatics of Active Site Microenvironments of E. coli DHFR |
0.79 |
|
33.97 |
0.98 |
2-158 |
X-ray |
1.84 |
monomer |
1 x MTX, 1 x NAP, 1 x CA |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4p66.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHCWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4p66.1 DEAIAAAGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYSFEILER
target KK 4p66.1 R-
|
|
5cc9.1.A |
Dihydrofolate reductase
L28F E.coli dihydrofolate reductase complexed with 5,10-dideazatetrahydrofolate and oxidized nicotinamide adenine dinucleotide phosphate |
0.75 |
|
33.97 |
0.98 |
2-158 |
X-ray |
1.20 |
monomer |
1 x NAP, 1 x DDF |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 5cc9.1 -MISLIAALAVDRVIGMENAMPWNLPADFAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 5cc9.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 5cc9.1 R-
|
|
5w3q.1.A |
Dihydrofolate reductase
L28F E.coli DHFR in complex with NADPH |
0.79 |
|
33.97 |
0.98 |
2-158 |
X-ray |
1.40 |
monomer |
1 x NDP, 1 x CA |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 5w3q.1 -MISLIAALAVDRVIGMENAMPWNLPADFAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 5w3q.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 5w3q.1 R-
|
|
3ql0.1.A |
Dihydrofolate reductase
Crystal structure of N23PP/S148A mutant of E. coli dihydrofolate reductase |
0.78 |
|
34.62 |
0.98 |
2-158 |
X-ray |
1.60 |
monomer |
1 x FOL, 1 x NAP |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHS 3ql0.1 -MISLIAALAVDRVIGMENAMPWPPLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKS
target IEDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLI 3ql0.1 VDEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNAHSYCFEILE
target RKK 3ql0.1 RR-
|
|
4qle.1.A |
Dihydrofolate reductase
Crystal structure of I14A DHFR mutant complexed with folate and NADP+ |
0.77 |
|
33.97 |
0.98 |
2-158 |
X-ray |
1.35 |
monomer |
1 x FOL, 1 x NAP |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4qle.1 -MISLIAALAVDRVAGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4qle.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 4qle.1 R-
|
|
1dra.1.A |
DIHYDROFOLATE REDUCTASE
CRYSTAL STRUCTURE OF UNLIGANDED ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE. LIGAND-INDUCED CONFORMATIONAL CHANGES AND COOPERATIVITY IN BINDING |
0.75 |
|
33.97 |
0.98 |
2-158 |
X-ray |
1.90 |
homo-dimer |
2 x MTX, 1 x CA |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 1dra.1 -MISLIAALAVDRVIGMENAMPWNLPAELAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 1dra.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 1dra.1 R-
|
|
1dra.1.B |
DIHYDROFOLATE REDUCTASE
CRYSTAL STRUCTURE OF UNLIGANDED ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE. LIGAND-INDUCED CONFORMATIONAL CHANGES AND COOPERATIVITY IN BINDING |
0.76 |
|
33.97 |
0.98 |
2-158 |
X-ray |
1.90 |
homo-dimer |
2 x MTX, 1 x CA |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 1dra.1 -MISLIAALAVDRVIGMENAMPWNLPAELAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 1dra.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 1dra.1 R-
|
|
5cc9.1.A |
Dihydrofolate reductase
L28F E.coli dihydrofolate reductase complexed with 5,10-dideazatetrahydrofolate and oxidized nicotinamide adenine dinucleotide phosphate |
0.74 |
|
35.48 |
0.97 |
3-158 |
X-ray |
1.20 |
monomer |
1 x NAP, 1 x DDF |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 5cc9.1 --ISLIAALAVDRVIGMENAMPWNLPADFAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 5cc9.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 5cc9.1 R-
|
|
5w3q.1.A |
Dihydrofolate reductase
L28F E.coli DHFR in complex with NADPH |
0.78 |
|
35.48 |
0.97 |
3-158 |
X-ray |
1.40 |
monomer |
1 x NDP, 1 x CA |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 5w3q.1 --ISLIAALAVDRVIGMENAMPWNLPADFAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 5w3q.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 5w3q.1 R-
|
|
3ql0.1.A |
Dihydrofolate reductase
Crystal structure of N23PP/S148A mutant of E. coli dihydrofolate reductase |
0.77 |
|
36.13 |
0.97 |
3-158 |
X-ray |
1.60 |
monomer |
1 x FOL, 1 x NAP |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHS 3ql0.1 --ISLIAALAVDRVIGMENAMPWPPLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKS
target IEDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLI 3ql0.1 VDEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNAHSYCFEILE
target RKK 3ql0.1 RR-
|
|
6xg4.1.A |
Dihydrofolate reductase
X-ray structure of Escherichia coli dihydrofolate reductase L28R mutant in complex with trimethoprim |
0.79 |
|
33.97 |
0.98 |
2-158 |
X-ray |
2.10 |
monomer |
1 x NDP, 1 x TOP |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 6xg4.1 -MISLIAALAVDRVIGMENAMPWNLPADRAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 6xg4.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 6xg4.1 R-
|
|
5uii.1.A |
Dihydrofolate reductase
structure of DHFR with bound buformin and NADP |
0.76 |
|
34.84 |
0.97 |
3-158 |
X-ray |
1.35 |
monomer |
1 x NAP, 1 x CA, 1 x BFR |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 5uii.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 5uii.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYSFEILER
target KK 5uii.1 R-
|
|
4qle.1.A |
Dihydrofolate reductase
Crystal structure of I14A DHFR mutant complexed with folate and NADP+ |
0.76 |
|
35.48 |
0.97 |
3-158 |
X-ray |
1.35 |
monomer |
1 x FOL, 1 x NAP |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4qle.1 --ISLIAALAVDRVAGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4qle.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 4qle.1 R-
|
|
1dra.1.A |
DIHYDROFOLATE REDUCTASE
CRYSTAL STRUCTURE OF UNLIGANDED ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE. LIGAND-INDUCED CONFORMATIONAL CHANGES AND COOPERATIVITY IN BINDING |
0.74 |
|
35.48 |
0.97 |
3-158 |
X-ray |
1.90 |
homo-dimer |
2 x MTX, 1 x CA |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 1dra.1 --ISLIAALAVDRVIGMENAMPWNLPAELAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 1dra.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 1dra.1 R-
|
|
1dra.1.B |
DIHYDROFOLATE REDUCTASE
CRYSTAL STRUCTURE OF UNLIGANDED ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE. LIGAND-INDUCED CONFORMATIONAL CHANGES AND COOPERATIVITY IN BINDING |
0.75 |
|
35.48 |
0.97 |
3-158 |
X-ray |
1.90 |
homo-dimer |
2 x MTX, 1 x CA |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 1dra.1 --ISLIAALAVDRVIGMENAMPWNLPAELAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 1dra.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 1dra.1 R-
|
|
1dhi.1.A |
DIHYDROFOLATE REDUCTASE
LONG-RANGE STRUCTURAL EFFECTS IN A SECOND-SITE REVERTANT OF A MUTANT DIHYDROFOLATE REDUCTASE |
0.75 |
|
33.97 |
0.98 |
2-158 |
X-ray |
1.90 |
homo-dimer |
2 x MTX, 1 x CA |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 1dhi.1 -MISLIAALAVDRVIGMENAMPWNLPASLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 1dhi.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 1dhi.1 R-
|
|
1dhi.1.B |
DIHYDROFOLATE REDUCTASE
LONG-RANGE STRUCTURAL EFFECTS IN A SECOND-SITE REVERTANT OF A MUTANT DIHYDROFOLATE REDUCTASE |
0.76 |
|
33.97 |
0.98 |
2-158 |
X-ray |
1.90 |
homo-dimer |
2 x MTX, 1 x CA |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 1dhi.1 -MISLIAALAVDRVIGMENAMPWNLPASLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 1dhi.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 1dhi.1 R-
|
|
3ia4.1.A |
Dihydrofolate reductase
Moritella profunda dihydrofolate reductase (DHFR) in complex with NADPH and methotrexate (MTX) |
0.74 |
|
42.00 |
0.94 |
1-152 |
X-ray |
1.70 |
monomer |
1 x NDP, 1 x MTX |
BLAST |
0.42 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3ia4.1 MIVSMIAALANNRVIGLDNKMPWHLPAELQLFKRATLGKPIVMGRNTFESIGRPLPGRLNIVLSRQTDYQPEGVTVVATL
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 3ia4.1 EDAVVAAGDVEELMIIGGATIYNQCLAAADRLYLTHIELTTEGDTWFPDYEQYNWQEIEHESYAADDKN--PHNY-----
target KK 3ia4.1 --
|
|
3ia5.1.A |
Dihydrofolate reductase
Moritella profunda dihydrofolate reductase (DHFR) |
0.71 |
|
42.00 |
0.94 |
1-152 |
X-ray |
2.10 |
monomer |
|
BLAST |
0.42 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 3ia5.1 MIVSMIAALANNRVIGLDNKMPWHLPAELQLFKRATLGKPIVMGRNTFESIGRPLPGRLNIVLSRQTDYQPEGVTVVATL
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 3ia5.1 EDAVVAAGDVEELMIIGGATIYNQCLAAADRLYLTHIELTTEGDTWFPDYEQYNWQEIEHESYAADDKN--PHNY-----
target KK 3ia5.1 --
|
|
6xg4.1.A |
Dihydrofolate reductase
X-ray structure of Escherichia coli dihydrofolate reductase L28R mutant in complex with trimethoprim |
0.78 |
|
35.48 |
0.97 |
3-158 |
X-ray |
2.10 |
monomer |
1 x NDP, 1 x TOP |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 6xg4.1 --ISLIAALAVDRVIGMENAMPWNLPADRAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 6xg4.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 6xg4.1 R-
|
|
4qlf.1.A |
Dihydrofolate reductase
Crystal structure of I14G DHFR mutant complexed with folate and NADP+ |
0.73 |
|
33.97 |
0.98 |
2-158 |
X-ray |
1.44 |
monomer |
1 x FOL, 1 x NAP |
HHblits |
0.38 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4qlf.1 -MISLIAALAVDRVGGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4qlf.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 4qlf.1 R-
|
|
8vz4.1.A |
Dihydrofolate reductase
L54G Mutant of E. coli Dihydrofolate Reductase Complexed with Nicotinamide Adenine Dinucleotide Phosphate (oxidized form) |
0.75 |
|
33.97 |
0.98 |
2-158 |
X-ray |
1.25 |
homo-dimer |
2 x NAP |
HHblits |
0.38 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 8vz4.1 -MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPGPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 8vz4.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 8vz4.1 R-
|
|
1dhi.1.A |
DIHYDROFOLATE REDUCTASE
LONG-RANGE STRUCTURAL EFFECTS IN A SECOND-SITE REVERTANT OF A MUTANT DIHYDROFOLATE REDUCTASE |
0.74 |
|
35.48 |
0.97 |
3-158 |
X-ray |
1.90 |
homo-dimer |
2 x MTX, 1 x CA |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 1dhi.1 --ISLIAALAVDRVIGMENAMPWNLPASLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 1dhi.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 1dhi.1 R-
|
|
1dhi.1.B |
DIHYDROFOLATE REDUCTASE
LONG-RANGE STRUCTURAL EFFECTS IN A SECOND-SITE REVERTANT OF A MUTANT DIHYDROFOLATE REDUCTASE |
0.75 |
|
35.48 |
0.97 |
3-158 |
X-ray |
1.90 |
homo-dimer |
2 x MTX, 1 x CA |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 1dhi.1 --ISLIAALAVDRVIGMENAMPWNLPASLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 1dhi.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 1dhi.1 R-
|
|
9c87.1.G |
Dihydrofolate reductase
Cryo-EM Structure of a Proteolytic ClpXP AAA+ Machine Poised to Unfold a Linear-Degron DHFR-ssrA Substrate Bound with MTX |
0.66 |
|
34.84 |
0.97 |
3-158 |
EM |
0.00 |
hetero-6-1-14-mer |
3 x ATP, 4 x MG, 3 x ADP, 1 x MTX |
HHblits |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 9c87.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 9c87.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 9c87.1 R-
|
|
4qlf.1.A |
Dihydrofolate reductase
Crystal structure of I14G DHFR mutant complexed with folate and NADP+ |
0.72 |
|
35.48 |
0.97 |
3-158 |
X-ray |
1.44 |
monomer |
1 x FOL, 1 x NAP |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 4qlf.1 --ISLIAALAVDRVGGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4qlf.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 4qlf.1 R-
|
|
8vz4.1.A |
Dihydrofolate reductase
L54G Mutant of E. coli Dihydrofolate Reductase Complexed with Nicotinamide Adenine Dinucleotide Phosphate (oxidized form) |
0.74 |
|
35.48 |
0.97 |
3-158 |
X-ray |
1.25 |
homo-dimer |
2 x NAP |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 8vz4.1 --ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPGPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 8vz4.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 8vz4.1 R-
|
|
1drb.1.A |
DIHYDROFOLATE REDUCTASE
CRYSTAL STRUCTURE OF UNLIGANDED ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE. LIGAND-INDUCED CONFORMATIONAL CHANGES AND COOPERATIVITY IN BINDING |
0.75 |
|
33.97 |
0.98 |
2-158 |
X-ray |
1.96 |
homo-dimer |
2 x MTX, 1 x CA |
HHblits |
0.38 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 1drb.1 -MISLIAALAVDRVIGMENAMPWNLPACLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 1drb.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 1drb.1 R-
|
|
1drb.1.B |
DIHYDROFOLATE REDUCTASE
CRYSTAL STRUCTURE OF UNLIGANDED ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE. LIGAND-INDUCED CONFORMATIONAL CHANGES AND COOPERATIVITY IN BINDING |
0.76 |
|
33.97 |
0.98 |
2-158 |
X-ray |
1.96 |
homo-dimer |
2 x MTX, 1 x CA |
HHblits |
0.38 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 1drb.1 -MISLIAALAVDRVIGMENAMPWNLPACLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 1drb.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 1drb.1 R-
|
|
2drc.1.A |
DIHYDROFOLATE REDUCTASE
INVESTIGATION OF THE FUNCTIONAL ROLE OF TRYPTOPHAN-22 IN ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE BY SITE-DIRECTED MUTAGENESIS |
0.75 |
|
33.97 |
0.98 |
2-158 |
X-ray |
1.90 |
homo-dimer |
2 x MTX, 1 x CA |
HHblits |
0.38 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 2drc.1 -MISLIAALAVDRVIGMENAMPFNLPADLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 2drc.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 2drc.1 R-
|
|
2drc.1.B |
DIHYDROFOLATE REDUCTASE
INVESTIGATION OF THE FUNCTIONAL ROLE OF TRYPTOPHAN-22 IN ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE BY SITE-DIRECTED MUTAGENESIS |
0.77 |
|
33.97 |
0.98 |
2-158 |
X-ray |
1.90 |
homo-dimer |
2 x MTX, 1 x CA |
HHblits |
0.38 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 2drc.1 -MISLIAALAVDRVIGMENAMPFNLPADLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 2drc.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 2drc.1 R-
|
|
1drb.1.A |
DIHYDROFOLATE REDUCTASE
CRYSTAL STRUCTURE OF UNLIGANDED ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE. LIGAND-INDUCED CONFORMATIONAL CHANGES AND COOPERATIVITY IN BINDING |
0.74 |
|
35.48 |
0.97 |
3-158 |
X-ray |
1.96 |
homo-dimer |
2 x MTX, 1 x CA |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 1drb.1 --ISLIAALAVDRVIGMENAMPWNLPACLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 1drb.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 1drb.1 R-
|
|
1drb.1.B |
DIHYDROFOLATE REDUCTASE
CRYSTAL STRUCTURE OF UNLIGANDED ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE. LIGAND-INDUCED CONFORMATIONAL CHANGES AND COOPERATIVITY IN BINDING |
0.75 |
|
35.48 |
0.97 |
3-158 |
X-ray |
1.96 |
homo-dimer |
2 x MTX, 1 x CA |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 1drb.1 --ISLIAALAVDRVIGMENAMPWNLPACLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 1drb.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 1drb.1 R-
|
|
2drc.1.A |
DIHYDROFOLATE REDUCTASE
INVESTIGATION OF THE FUNCTIONAL ROLE OF TRYPTOPHAN-22 IN ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE BY SITE-DIRECTED MUTAGENESIS |
0.74 |
|
35.48 |
0.97 |
3-158 |
X-ray |
1.90 |
homo-dimer |
2 x MTX, 1 x CA |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 2drc.1 --ISLIAALAVDRVIGMENAMPFNLPADLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 2drc.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 2drc.1 R-
|
|
2drc.1.B |
DIHYDROFOLATE REDUCTASE
INVESTIGATION OF THE FUNCTIONAL ROLE OF TRYPTOPHAN-22 IN ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE BY SITE-DIRECTED MUTAGENESIS |
0.76 |
|
35.48 |
0.97 |
3-158 |
X-ray |
1.90 |
homo-dimer |
2 x MTX, 1 x CA |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 2drc.1 --ISLIAALAVDRVIGMENAMPFNLPADLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 2drc.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 2drc.1 R-
|
|
8f09.1.A |
Dihydrofolate reductase
Crystal structure of a trimethoprim-resistant dihydrofolate reductase (DHFR) enzyme from an uncultured soil bacterium |
0.72 |
|
37.25 |
0.96 |
1-153 |
X-ray |
2.45 |
monomer |
|
BLAST |
0.40 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 8f09.1 MIISLIAALTENRVIGKSNDLPWHLPDDMKYFMQTTLGHHVIMGRKNYESIPAKFRPLANRTNIVVTRQEEYDAAGCIVV
target HSIE-----DIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTF 8f09.1 NSIPAGIDIAIDNREAEVFIIGGAEIYTQSLAFANRLYLTEIQTSLEGDAFFPMFNKHEWNELSRKHHPLDEKHRYSFDF
target LHLIRKK 8f09.1 V------
|
|
8f09.2.A |
Dihydrofolate reductase
Crystal structure of a trimethoprim-resistant dihydrofolate reductase (DHFR) enzyme from an uncultured soil bacterium |
0.72 |
|
37.25 |
0.96 |
1-153 |
X-ray |
2.45 |
monomer |
|
BLAST |
0.40 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 8f09.2 MIISLIAALTENRVIGKSNDLPWHLPDDMKYFMQTTLGHHVIMGRKNYESIPAKFRPLANRTNIVVTRQEEYDAAGCIVV
target HSIE-----DIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTF 8f09.2 NSIPAGIDIAIDNREAEVFIIGGAEIYTQSLAFANRLYLTEIQTSLEGDAFFPMFNKHEWNELSRKHHPLDEKHRYSFDF
target LHLIRKK 8f09.2 V------
|
|
4gh8.1.A |
Dihydrofolate reductase
Crystal structure of a 'humanized' E. coli dihydrofolate reductase |
0.75 |
|
35.71 |
0.97 |
3-157 |
X-ray |
1.85 |
monomer |
1 x MTX, 1 x NDP, 1 x CA |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTLVMGRKTFESI---GKPLPNRRNVVLTSDTSFNVEGVDV 4gh8.1 --ISLIAALAVDRVIGMENAMPWPPLPADLAWFKRNTLNKPVIMGRHTWESIPEKNRPLPGRKNIILSSQPGTD-DRVTW
target IHSIEDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFL 4gh8.1 VKSVDEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFE
target HLIRKK 4gh8.1 ILER--
|
|
4gh8.1.A |
Dihydrofolate reductase
Crystal structure of a 'humanized' E. coli dihydrofolate reductase |
0.76 |
|
34.19 |
0.97 |
2-157 |
X-ray |
1.85 |
monomer |
1 x MTX, 1 x NDP, 1 x CA |
HHblits |
0.38 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDV 4gh8.1 -MISLIAALAVDRVIGMENAMPWPPLPADLAWFKRNTLNKPVIMGRHTWESIPEKNRPLPGRKNIILSSQPGTD-DRVTW
target IHSIEDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFL 4gh8.1 VKSVDEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFE
target HLIRKK 4gh8.1 ILER--
|
|
4ky4.3.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Crystal structure of non-classical TS inhibitor 2 in complex with Toxoplasma gondii TS-DHFR |
0.70 |
|
32.91 |
0.99 |
1-158 |
X-ray |
2.79 |
homo-dimer |
2 x UMP, 2 x 04J, 2 x NDP, 2 x 1UE |
HHblits |
0.37 |
target MTLSILVAHDLQRVIGFENQLPW-HLPNDLKHVKKLSTG---------------------------------HTLVMGRK 4ky4.3 KPVCLVVAMTPKRGIGINNGLPWPHLTTDFKHFSRVTKTTPEEASRLNGWLPRKFAKTGDSGLPSPSVGKRFNAVVMGRK
target TFESIG---KPLPNRRNVVLTSDTSFN-----------VEGVDVIHSIEDIYQL--------PGHVFIFGGQTLFEEMID 4ky4.3 TWESMPRKFRPLVDRLNIVVSSSLKEEDIAAEKPQAEGQQRVRVCASLPAALSLLEEEYKDSVDQIFVVGGAGLYEAALS
target --KVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSV---------------------------------EGKLDEKNTIP 4ky4.3 LGVASHLYITRVAREFPCDVFFPAFPGDDILSNKSTAAQAAAPAESVFVPFCPELGREKDNEATYRPIFISKTFSDNGVP
target HTFLHLIRKK 4ky4.3 YDFVVLEKR-
|
|
4eck.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Crystal Structure of the Toxoplasma gondii TS-DHFR |
0.66 |
|
32.91 |
0.99 |
1-158 |
X-ray |
3.52 |
homo-dimer |
2 x UMP, 2 x CB3, 2 x FOL, 2 x NDP |
HHblits |
0.37 |
target MTLSILVAHDLQRVIGFENQLPW-HLPNDLKHVKKLSTG---------------------------------HTLVMGRK 4eck.1 KPVCLVVAMTPKRGIGINNGLPWPHLTTDFKHFSRVTKTTPEEASRLNGWLPRKFAKTGDSGLPSPSVGKRFNAVVMGRK
target TFESIG---KPLPNRRNVVLTSDTSFN-----------VEGVDVIHSIEDIYQL--------PGHVFIFGGQTLFEEMID 4eck.1 TWESMPRKFRPLVDRLNIVVSSSLKEEDIAAEKPQAEGQQRVRVCASLPAALSLLEEEYKDSVDQIFVVGGAGLYEAALS
target --KVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSV---------------------------------EGKLDEKNTIP 4eck.1 LGVASHLYITRVAREFPCDVFFPAFPGDDILSNKSTAAQAAAPAESVFVPFCPELGREKDNEATYRPIFISKTFSDNGVP
target HTFLHLIRKK 4eck.1 YDFVVLEKR-
|
|
4eck.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Crystal Structure of the Toxoplasma gondii TS-DHFR |
0.67 |
|
32.91 |
0.99 |
1-158 |
X-ray |
3.52 |
homo-dimer |
2 x UMP, 2 x CB3, 2 x FOL, 2 x NDP |
HHblits |
0.37 |
target MTLSILVAHDLQRVIGFENQLPW-HLPNDLKHVKKLSTG---------------------------------HTLVMGRK 4eck.1 KPVCLVVAMTPKRGIGINNGLPWPHLTTDFKHFSRVTKTTPEEASRLNGWLPRKFAKTGDSGLPSPSVGKRFNAVVMGRK
target TFESIG---KPLPNRRNVVLTSDTSFN-----------VEGVDVIHSIEDIYQL--------PGHVFIFGGQTLFEEMID 4eck.1 TWESMPRKFRPLVDRLNIVVSSSLKEEDIAAEKPQAEGQQRVRVCASLPAALSLLEEEYKDSVDQIFVVGGAGLYEAALS
target --KVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSV---------------------------------EGKLDEKNTIP 4eck.1 LGVASHLYITRVAREFPCDVFFPAFPGDDILSNKSTAAQAAAPAESVFVPFCPELGREKDNEATYRPIFISKTFSDNGVP
target HTFLHLIRKK 4eck.1 YDFVVLEKR-
|
|
7fgx.2.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Toxoplasma gondii dihydrofolate reductase thymidylate synthase (TgDHFR-TS) complexed with P39, NADPH and dUMP |
0.72 |
|
32.91 |
0.99 |
1-158 |
X-ray |
2.05 |
homo-dimer |
2 x NDP, 2 x 4RI, 2 x UMP |
HHblits |
0.37 |
target MTLSILVAHDLQRVIGFENQLPW-HLPNDLKHVKKLSTG---------------------------------HTLVMGRK 7fgx.2 KPVCLVVAMTPKRGIGINNGLPWPHLTTDFKHFSRVTKTTPEEASRLNGWLPRKFAKTGDSGLPSPSVGKRFNAVVMGRK
target TFESIG---KPLPNRRNVVLTSDTSFN-----------VEGVDVIHSIEDIYQL--------PGHVFIFGGQTLFEEMID 7fgx.2 TWESMPRKFRPLVDRLNIVVSSSLKEEDIAAEKPQAEGQQRVRVCASLPAALSLLEEEYKDSVDQIFVVGGAGLYEAALS
target --KVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSV---------------------------------EGKLDEKNTIP 7fgx.2 LGVASHLYITRVAREFPCDVFFPAFPGDDILSNKSTAAQAAAPAESVFVPFCPELGREKDNEATYRPIFISKTFSDNGVP
target HTFLHLIRKK 7fgx.2 YDFVVLEKR-
|
|
7fgy.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Toxoplasma gondii dihydrofolate reductase thymidylate synthase (TgDHFR-TS) complexed with P40, NADPH and dUMP |
0.71 |
|
32.91 |
0.99 |
1-158 |
X-ray |
2.67 |
homo-dimer |
2 x NDP, 2 x 4TS, 2 x UMP |
HHblits |
0.37 |
target MTLSILVAHDLQRVIGFENQLPW-HLPNDLKHVKKLSTG---------------------------------HTLVMGRK 7fgy.1 KPVCLVVAMTPKRGIGINNGLPWPHLTTDFKHFSRVTKTTPEEASRLNGWLPRKFAKTGDSGLPSPSVGKRFNAVVMGRK
target TFESIG---KPLPNRRNVVLTSDTSFN-----------VEGVDVIHSIEDIYQL--------PGHVFIFGGQTLFEEMID 7fgy.1 TWESMPRKFRPLVDRLNIVVSSSLKEEDIAAEKPQAEGQQRVRVCASLPAALSLLEEEYKDSVDQIFVVGGAGLYEAALS
target --KVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSV---------------------------------EGKLDEKNTIP 7fgy.1 LGVASHLYITRVAREFPCDVFFPAFPGDDILSNKSTAAQAAAPAESVFVPFCPELGREKDNEATYRPIFISKTFSDNGVP
target HTFLHLIRKK 7fgy.1 YDFVVLEKR-
|
|
7fgy.2.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Toxoplasma gondii dihydrofolate reductase thymidylate synthase (TgDHFR-TS) complexed with P40, NADPH and dUMP |
0.71 |
|
32.91 |
0.99 |
1-158 |
X-ray |
2.67 |
homo-dimer |
2 x NDP, 2 x 4TS, 2 x UMP |
HHblits |
0.37 |
target MTLSILVAHDLQRVIGFENQLPW-HLPNDLKHVKKLSTG---------------------------------HTLVMGRK 7fgy.2 KPVCLVVAMTPKRGIGINNGLPWPHLTTDFKHFSRVTKTTPEEASRLNGWLPRKFAKTGDSGLPSPSVGKRFNAVVMGRK
target TFESIG---KPLPNRRNVVLTSDTSFN-----------VEGVDVIHSIEDIYQL--------PGHVFIFGGQTLFEEMID 7fgy.2 TWESMPRKFRPLVDRLNIVVSSSLKEEDIAAEKPQAEGQQRVRVCASLPAALSLLEEEYKDSVDQIFVVGGAGLYEAALS
target --KVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSV---------------------------------EGKLDEKNTIP 7fgy.2 LGVASHLYITRVAREFPCDVFFPAFPGDDILSNKSTAAQAAAPAESVFVPFCPELGREKDNEATYRPIFISKTFSDNGVP
target HTFLHLIRKK 7fgy.2 YDFVVLEKR-
|
|
1dis.1.A |
DIHYDROFOLATE REDUCTASE
DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEX WITH BRODIMOPRIM-4,6-DICARBOXYLATE |
0.76 |
|
34.19 |
0.97 |
3-158 |
NMR |
0.00 |
monomer |
1 x BDM |
HHblits |
0.38 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG-KPLPNRRNVVLTSDTSFNVEGVDVIHS 1dis.1 --TAFLWAQDRDGLIGKDGHLPWHLPDDLHYFRAQTVGKIMVVGRRTYESFPKRPLPERTNVVLTHQEDYQAQGAVVVHD
target IEDIYQL-----PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 1dis.1 VAAVFAYAKQHPDQELVIAGGAQIFTAFKDDVDTLLVTRLAGSFEGDTKMIPLNWDDFTKVSSRTVE-DTNPALTHTYEV
target LIRKK 1dis.1 WQKK-
|
|
2l28.1.A |
Dihydrofolate reductase
Solution structure of lactobacillus casei dihydrofolate reductase apo-form, 25 conformers |
0.65 |
|
34.19 |
0.97 |
3-158 |
NMR |
0.00 |
monomer |
|
HHblits |
0.38 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG-KPLPNRRNVVLTSDTSFNVEGVDVIHS 2l28.1 --TAFLWAQDRDGLIGKDGHLPWHLPDDLHYFRAQTVGKIMVVGRRTYESFPKRPLPERTNVVLTHQEDYQAQGAVVVHD
target IEDIYQL-----PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 2l28.1 VAAVFAYAKQHPDQELVIAGGAQIFTAFKDDVDTLLVTRLAGSFEGDTKMIPLNWDDFTKVSSRTVE-DTNPALTHTYEV
target LIRKK 2l28.1 WQKK-
|
|
2lf1.1.A |
Dihydrofolate reductase
Solution structure of L. casei dihydrofolate reductase complexed with NADPH, 30 structures |
0.69 |
|
34.19 |
0.97 |
3-158 |
NMR |
0.00 |
monomer |
1 x NDP |
HHblits |
0.38 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG-KPLPNRRNVVLTSDTSFNVEGVDVIHS 2lf1.1 --TAFLWAQDRDGLIGKDGHLPWHLPDDLHYFRAQTVGKIMVVGRRTYESFPKRPLPERTNVVLTHQEDYQAQGAVVVHD
target IEDIYQL-----PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 2lf1.1 VAAVFAYAKQHPDQELVIAGGAQIFTAFKDDVDTLLVTRLAGSFEGDTKMIPLNWDDFTKVSSRTVE-DTNPALTHTYEV
target LIRKK 2lf1.1 WQKK-
|
|
2hm9.1.A |
Dihydrofolate reductase
Solution structure of dihydrofolate reductase complexed with trimethoprim, 33 structures |
0.68 |
|
34.19 |
0.97 |
3-158 |
NMR |
0.00 |
monomer |
1 x TRR |
HHblits |
0.38 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG-KPLPNRRNVVLTSDTSFNVEGVDVIHS 2hm9.1 --TAFLWAQDRDGLIGKDGHLPWHLPDDLHYFRAQTVGKIMVVGRRTYESFPKRPLPERTNVVLTHQEDYQAQGAVVVHD
target IEDIYQL-----PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 2hm9.1 VAAVFAYAKQHPDQELVIAGGAQIFTAFKDDVDTLLVTRLAGSFEGDTKMIPLNWDDFTKVSSRTVE-DTNPALTHTYEV
target LIRKK 2hm9.1 WQKK-
|
|
1lud.1.A |
DIHYDROFOLATE REDUCTASE
SOLUTION STRUCTURE OF DIHYDROFOLATE REDUCTASE COMPLEXED WITH TRIMETHOPRIM AND NADPH, 24 STRUCTURES |
0.72 |
|
34.19 |
0.97 |
3-158 |
NMR |
0.00 |
monomer |
1 x NDP, 1 x TRR |
HHblits |
0.38 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG-KPLPNRRNVVLTSDTSFNVEGVDVIHS 1lud.1 --TAFLWAQDRDGLIGKDGHLPWHLPDDLHYFRAQTVGKIMVVGRRTYESFPKRPLPERTNVVLTHQEDYQAQGAVVVHD
target IEDIYQL-----PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 1lud.1 VAAVFAYAKQHPDQELVIAGGAQIFTAFKDDVDTLLVTRLAGSFEGDTKMIPLNWDDFTKVSSRTVE-DTNPALTHTYEV
target LIRKK 1lud.1 WQKK-
|
|
1bzf.1.A |
DIHYDROFOLATE REDUCTASE
NMR SOLUTION STRUCTURE AND DYNAMICS OF THE COMPLEX OF LACTOBACILLUS CASEI DIHYDROFOLATE REDUCTASE WITH THE NEW LIPOPHILIC ANTIFOLATE DRUG TRIMETREXATE, 22 STRUCTURES |
0.69 |
|
34.19 |
0.97 |
3-158 |
NMR |
0.00 |
monomer |
1 x TMQ |
HHblits |
0.38 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG-KPLPNRRNVVLTSDTSFNVEGVDVIHS 1bzf.1 --TAFLWAQDRDGLIGKDGHLPWHLPDDLHYFRAQTVGKIMVVGRRTYESFPKRPLPERTNVVLTHQEDYQAQGAVVVHD
target IEDIYQL-----PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 1bzf.1 VAAVFAYAKQHPDQELVIAGGAQIFTAFKDDVDTLLVTRLAGSFEGDTKMIPLNWDDFTKVSSRTVE-DTNPALTHTYEV
target LIRKK 1bzf.1 WQKK-
|
|
1ao8.1.A |
DIHYDROFOLATE REDUCTASE
DIHYDROFOLATE REDUCTASE COMPLEXED WITH METHOTREXATE, NMR, 21 STRUCTURES |
0.71 |
|
34.19 |
0.97 |
3-158 |
NMR |
0.00 |
monomer |
1 x MTX |
HHblits |
0.38 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG-KPLPNRRNVVLTSDTSFNVEGVDVIHS 1ao8.1 --TAFLWAQDRDGLIGKDGHLPWHLPDDLHYFRAQTVGKIMVVGRRTYESFPKRPLPERTNVVLTHQEDYQAQGAVVVHD
target IEDIYQL-----PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 1ao8.1 VAAVFAYAKQHPDQELVIAGGAQIFTAFKDDVDTLLVTRLAGSFEGDTKMIPLNWDDFTKVSSRTVE-DTNPALTHTYEV
target LIRKK 1ao8.1 WQKK-
|
|
2hqp.1.A |
Dihydrofolate reductase
Solution structure of L.casei dihydrofolate reductase complexed with NADPH, 32 structures |
0.64 |
|
34.19 |
0.97 |
3-158 |
NMR |
0.00 |
monomer |
1 x NDP |
HHblits |
0.38 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG-KPLPNRRNVVLTSDTSFNVEGVDVIHS 2hqp.1 --TAFLWAQDRDGLIGKDGHLPWHLPDDLHYFRAQTVGKIMVVGRRTYESFPKRPLPERTNVVLTHQEDYQAQGAVVVHD
target IEDIYQL-----PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 2hqp.1 VAAVFAYAKQHPDQELVIAGGAQIFTAFKDDVDTLLVTRLAGSFEGDTKMIPLNWDDFTKVSSRTVE-DTNPALTHTYEV
target LIRKK 2hqp.1 WQKK-
|
|
8dae.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase 1
Arabidopsis thaliana bifunctional dihydrofolate reductase-thymidylate synthase |
0.64 |
|
37.25 |
0.96 |
2-159 |
X-ray |
2.00 |
homo-tetramer |
|
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKL-------STGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF- 8dae.1 -TYQVVVAATKEMGIGKDGKLPWNLPTDLKFFKDITLTTSDSSKKNAVVMGRKTWESIPIKYRPLSGRLNVVLTRSGGFD
target --NVEGVDVIHSIE---DIYQLPGH------VFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPP---YTFEDWE 8dae.1 IANTENVVTCSSVDSALDLLAAPPYCLSIERVFVIGGGDILREALNRPSCDAIHLTEIDTSVDCDTFIPAIDTSVYQPWS
target VASSVEGKLDEKNTIPHTFLHLIRKK 8dae.1 SSFPV-----TENGLRFCFTTFVRVK
|
|
2zza.1.A |
Dihydrofolate reductase
Moritella profunda Dihydrofolate reductase complex with NADP+ and Folate |
0.73 |
|
41.89 |
0.93 |
3-152 |
X-ray |
2.00 |
monomer |
1 x NAP, 1 x FOL |
BLAST |
0.42 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 2zza.1 --VSMIAALANNRVIGLDNKMPWHLPAELQLFKRATLGKPIVMGRNTFESIGRPLPGRLNIVLSRQTDYQPEGVTVVATL
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 2zza.1 EDAVVAAGDVEELMIIGGATIYNQCLAAADRLYLTHIELTTEGDTWFPDYEQYNWQEIEHESYAADDKN--PHNY-----
target KK 2zza.1 --
|
|
3dfr.1.A |
DIHYDROFOLATE REDUCTASE
CRYSTAL STRUCTURES OF ESCHERICHIA COLI AND LACTOBACILLUS CASEI DIHYDROFOLATE REDUCTASE REFINED AT 1.7 ANGSTROMS RESOLUTION. I. GENERAL FEATURES AND BINDING OF METHOTREXATE |
0.76 |
|
33.55 |
0.97 |
3-158 |
X-ray |
1.70 |
monomer |
1 x NDP, 1 x MTX |
HHblits |
0.38 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG-KPLPNRRNVVLTSDTSFNVEGVDVIHS 3dfr.1 --TAFLWAQNRNGLIGKDGHLPWHLPDDLHYFRAQTVGKIMVVGRRTYESFPKRPLPERTNVVLTHQEDYQAQGAVVVHD
target IEDIYQL-----PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 3dfr.1 VAAVFAYAKQHLDQELVIAGGAQIFTAFKDDVDTLLVTRLAGSFEGDTKMIPLNWDDFTKVSSRTVE-DTNPALTHTYEV
target LIRKK 3dfr.1 WQKK-
|
|
4eil.4.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Crystal Structure of the loop truncated Toxoplasma gondii TS-DHFR |
0.71 |
|
33.12 |
0.99 |
2-158 |
X-ray |
2.20 |
homo-dimer |
2 x UMP, 2 x CB3, 2 x FOL, 2 x NDP |
HHblits |
0.37 |
target MTLSILVAHDLQRVIGFENQLPW-HLPNDLKHVKKLSTG--------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTS 4eil.4 -PVCLVVAMTPKRGIGINNGLPWPHLTTDFKHFSRVTKTTPEEASRFNAVVMGRKTWESMPRKFRPLVDRLNIVVSSSLK
target FN-----------VEGVDVIHSIEDIYQL--------PGHVFIFGGQTLFEEMID--KVDDMYITVIEGKFRGDTFFPPY 4eil.4 EEDIAAEKPQAEGQQRVRVCASLPAALSLLEEEYKDSVDQIFVVGGAGLYEAALSLGVASHLYITRVAREFPCDVFFPAF
target TFEDWEVASSVEG--------------KLDEKNTIPHTFLHLIRKK 4eil.4 PGDDILSNKSTAAEKDNEATYRPIFISKTFSDNGVPYDFVVLEKR-
|
|
4eil.2.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Crystal Structure of the loop truncated Toxoplasma gondii TS-DHFR |
0.69 |
|
33.12 |
0.99 |
2-158 |
X-ray |
2.20 |
homo-dimer |
2 x UMP, 2 x CB3, 2 x FOL, 2 x NDP |
HHblits |
0.37 |
target MTLSILVAHDLQRVIGFENQLPW-HLPNDLKHVKKLSTG--------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTS 4eil.2 -PVCLVVAMTPKRGIGINNGLPWPHLTTDFKHFSRVTKTTPEEASRFNAVVMGRKTWESMPRKFRPLVDRLNIVVSSSLK
target FN-----------VEGVDVIHSIEDIYQL--------PGHVFIFGGQTLFEEMID--KVDDMYITVIEGKFRGDTFFPPY 4eil.2 EEDIAAEKPQAEGQQRVRVCASLPAALSLLEEEYKDSVDQIFVVGGAGLYEAALSLGVASHLYITRVAREFPCDVFFPAF
target TFEDWEVASSVEG--------------KLDEKNTIPHTFLHLIRKK 4eil.2 PGDDILSNKSTAAEKDNEATYRPIFISKTFSDNGVPYDFVVLEKR-
|
|
3k45.1.A |
Dihydrofolate reductase
Alternate Binding Modes Observed for the E- and Z-isomers of 2,4-Diaminofuro[2,3d]pyrimidines as Ternary Complexes with NADPH and Mouse Dihydrofolate Reductase |
0.71 |
|
29.56 |
1.00 |
1-159 |
X-ray |
1.60 |
monomer |
1 x NDP, 1 x 51P |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 3k45.1 RPLNCIVAVSQNMGIGKNGDLPWPPLRNEFKYFQRMTTTSSVEGKQNLVIMGRKTWFSIPEKNRPLKDRINIVLSRELKE
target NVEG-VDVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 3k45.1 PPRGAHFLAKSLDDALRLIEQPDLASKVDMVWIVGGSSVYQEAMNQPGHLRLFVTRIMQEFESDTFFPEIDLGKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 3k45.1 YPGVLSEVQEEKGIKYKFEVYEKKD
|
|
4ixf.1.A |
Dihydrofolate reductase
pcDHFR-269 F69N variant |
0.68 |
|
29.75 |
0.99 |
1-158 |
X-ray |
1.70 |
monomer |
1 x NDP, 1 x IXF |
HHblits |
0.36 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG----------HTLVMGRKTFESIG---KPLPNRRNVVLTSDT 4ixf.1 KSLTLIVALTTSYGIGRSNSLPWKLKKEISYFKRVTSFVPTFDSFESMNVVLMGRKTWESIPLQNRPLKGRINVVITRNE
target SFNV-EGVDVIHSIEDIYQL------------PGHVFIFGGQTLFEEMID--KVDDMYITVIEGKFRGDTFFPPYT-FED 4ixf.1 SLDLGNGIHSAKSLDHALELLYRTYGSESSVQINRIFVIGGAQLYKAAMDHPKLDRIMATIIYKDIHCDVFFPLKFRDKE
target WEVASSVEG--------------KLDEKNTIPHTFLHLIRKK 4ixf.1 WSSVWKKEKHSDLESWVGTKVPHGKINEDGFDYEFEMWTRD-
|
|
1vj3.1.A |
DIHYDROFOLATE REDUCTASE
STRUCTURAL STUDIES ON BIO-ACTIVE COMPOUNDS. CRYSTAL STRUCTURE AND MOLECULAR MODELING STUDIES ON THE PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COFACTOR COMPLEX WITH TAB, A HIGHLY SELECTIVE ANTIFOLATE. |
0.67 |
|
29.75 |
0.99 |
1-158 |
X-ray |
2.10 |
monomer |
1 x NDP, 1 x TAB |
HHblits |
0.36 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG----------HTLVMGRKTFESIG---KPLPNRRNVVLTSDT 1vj3.1 KSLTLIVALTTSYGIGRSNSLPWKLKKEISYFKRVTSFVPTFDSFESMNVVLMGRKTWESIPLQFRPLKGRINVVITRNE
target SFNV-EGVDVIHSIEDIYQL------------PGHVFIFGGQTLFEEMID--KVDDMYITVIEGKFRGDTFFPPYT-FED 1vj3.1 SLDLGNGIHSAKSLDHALELLYRTYGSESSVQINRIFVIGGAQLYKAAMDHPKLDRIMATIIYKDIHCDVFFPLKFRDKE
target WEVASSVEG--------------KLDEKNTIPHTFLHLIRKK 1vj3.1 WSSVWKKEKHSDLESWVGTKVPHGKINEDGFDYEFEMWTRD-
|
|
3f8y.1.A |
Dihydrofolate reductase
Correlations of Human Dihydrofolate Reductase with Structural Data for Human Active Site Mutant Enzyme Complexes |
0.72 |
0.00 |
28.93 |
1.00 |
1-159 |
X-ray |
1.45 |
monomer |
1 x DH1, 1 x NDP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 3f8y.1 GSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFKRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGV-DVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 3f8y.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 3f8y.1 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
3ghv.1.A |
Dihydrofolate reductase
Human dihydrofolate reductase Q35K/N64F double mutant inhibitor complex |
0.71 |
0.00 |
28.93 |
1.00 |
1-159 |
X-ray |
1.30 |
monomer |
1 x GHC, 1 x NDP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 3ghv.1 GSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFKRMTTTSSVEGKQNLVIMGKKTWFSIPEKFRPLKGRINLVLSRELKE
target NVEGV-DVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 3ghv.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 3ghv.1 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
3d84.1.A |
Dihydrofolate reductase
Structural Analysis of a Holo Enzyme Complex of Mouse Dihydrofolate Reductase with NADPH and a Ternary Complex with the Potent and Selective Inhibitor 2.4-Diamino-6-(-2'-hydroxydibenz[b,f]azepin-5-yl)methylpteridine |
0.70 |
|
28.93 |
1.00 |
1-159 |
X-ray |
1.90 |
monomer |
1 x NDP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 3d84.1 RPLNCIVAVSQNMGIGKNGDLPWPPLRNEFKYFQRMTTTSSVEGKQNLVIMGRKTWFSIPEKNRPLKDRINIVLSRELKE
target NVEG-VDVIHSIEDIYQ---------LPGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 3d84.1 PPRGAHFLAKSLDDALRLIEQPELASKVDMVWIVGGSSVYQEAMNQPGHLRLFVTRIMQEFESDTFFPEIDLGKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 3d84.1 YPGVLSEVQEEKGIKYKFEVYEKKD
|
|
3i3r.1.A |
Dihydrofolate reductase/thymidylate synthase
X-ray structure dihydrofolate reductase/thymidylate synthase from babesia bovis at 2.35A resolution |
0.70 |
|
32.90 |
0.97 |
1-159 |
X-ray |
2.35 |
homo-dimer |
|
HHblits |
0.37 |
target MTLSILVAHDLQRVIGFENQLPW-HLPNDLKHVKKLST-------------GHTLVMGRKTFESIG---KPLPNRRNVVL 3i3r.1 GDLTIFVAVALNKVIGHKNQIPWPHITHDFRFLRNGTTYIPPEVLSKNPDIQNVVIFGRKTYESIPKASLPLKNRINVIL
target TSDTSFNVEGVDVIHSIEDIYQL------PGHVFIFGGQTLFEEMID--KVDDMYITVIEGKFRGDTFFPPYTFEDWEVA 3i3r.1 SRTVKE-VPGCLVYEDLSTAIRDLRANVPHNKIFILGGSFLYKEVLDNGLCDKIYLTRLNKEYPGDTYFPDIPD-TFEIT
target SSVEGKLDEKNTIPHTFLHLIRKK 3i3r.1 AISPT--FSTDFVSYDFVIYERKD
|
|
3nrr.1.A |
Dihydrofolate reductase-thymidylate synthase
Co-crystal structure of dihydrofolate reductase-thymidylate synthase from Babesia bovis with dUMP, Raltitrexed and NADP |
0.72 |
|
32.90 |
0.97 |
1-159 |
X-ray |
1.80 |
homo-dimer |
2 x NAP, 4 x D16, 2 x UMP |
HHblits |
0.37 |
target MTLSILVAHDLQRVIGFENQLPW-HLPNDLKHVKKLST-------------GHTLVMGRKTFESIG---KPLPNRRNVVL 3nrr.1 GDLTIFVAVALNKVIGHKNQIPWPHITHDFRFLRNGTTYIPPEVLSKNPDIQNVVIFGRKTYESIPKASLPLKNRINVIL
target TSDTSFNVEGVDVIHSIEDIYQL------PGHVFIFGGQTLFEEMID--KVDDMYITVIEGKFRGDTFFPPYTFEDWEVA 3nrr.1 SRTVKE-VPGCLVYEDLSTAIRDLRANVPHNKIFILGGSFLYKEVLDNGLCDKIYLTRLNKEYPGDTYFPDIPD-TFEIT
target SSVEGKLDEKNTIPHTFLHLIRKK 3nrr.1 AISPT--FSTDFVSYDFVIYERKD
|
|
3l3r.1.A |
Dihydrofolate reductase
Structural, Computational and Kinetic Data for Antifolate Interactions Against Pneumocystis jirovecii, Pneumocystis carinii and Human Dihydrofolate Reductase and Their Active Site Mutants |
0.71 |
0.00 |
28.93 |
1.00 |
1-159 |
X-ray |
2.00 |
monomer |
1 x OAG, 1 x NDP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 3l3r.1 GSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFKRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEG-VDVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 3l3r.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 3l3r.1 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
2w3m.1.A |
DIHYDROFOLATE REDUCTASE
HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND FOLATE |
0.70 |
0.00 |
28.30 |
1.00 |
1-159 |
X-ray |
1.60 |
monomer |
1 x NDP, 1 x FOL |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 2w3m.1 GSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGV-DVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 2w3m.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 2w3m.1 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
6dav.2.A |
Dihydrofolate reductase
Crystal Structure of Human DHFR complexed with NADP and N10formyltetrahydrofolate |
0.71 |
0.00 |
28.30 |
1.00 |
1-159 |
X-ray |
1.55 |
monomer |
1 x NAP, 1 x G3V |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 6dav.2 GSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGV-DVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 6dav.2 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 6dav.2 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
3fs6.1.A |
Dihydrofolate reductase
Correlations of Inhibitor Kinetics for Pneumocystis jirovecii and Human Dihydrofolate Reductase with Structural Data for Human Active Site Mutant Enzyme Complexes |
0.71 |
0.00 |
28.30 |
1.00 |
1-159 |
X-ray |
1.23 |
monomer |
1 x DH1, 1 x NDP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 3fs6.1 GSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGV-DVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 3fs6.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 3fs6.1 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
3gyf.1.A |
Dihydrofolate reductase
Human DHFR with Z-isomer in Orthorhombic lattice |
0.71 |
0.00 |
28.30 |
1.00 |
1-159 |
X-ray |
1.70 |
monomer |
1 x 51P, 1 x NDP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 3gyf.1 GSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGV-DVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 3gyf.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 3gyf.1 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
4m6l.1.A |
Dihydrofolate reductase
Crystal structure of human dihydrofolate reductase (DHFR) bound to NADP+ and 5,10-dideazatetrahydrofolic acid |
0.71 |
0.00 |
28.30 |
1.00 |
1-159 |
X-ray |
1.70 |
monomer |
1 x 21V, 1 x NAP, 1 x DTT |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 4m6l.1 GSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGV-DVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 4m6l.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 4m6l.1 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
4m6j.1.A |
Dihydrofolate reductase
Crystal structure of human dihydrofolate reductase (DHFR) bound to NADPH |
0.72 |
|
28.30 |
1.00 |
1-159 |
X-ray |
1.20 |
monomer |
1 x NDP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 4m6j.1 GSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGV-DVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 4m6j.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 4m6j.1 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
7xi7.1.A |
Dihydrofolate reductase
Human dihydrofolate reductase complexed with P39 |
0.70 |
|
28.30 |
1.00 |
1-159 |
X-ray |
1.65 |
monomer |
1 x 4RI |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 7xi7.1 GSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGV-DVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 7xi7.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 7xi7.1 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
1mvt.1.A |
Dihydrofolate Reductase
Analysis of Two Polymorphic Forms of a Pyrido[2,3-d]pyrimidine N9-C10 Reverse-Bridge Antifolate Binary Complex with Human Dihydrofolate Reductase |
0.70 |
|
28.30 |
1.00 |
1-159 |
X-ray |
1.80 |
monomer |
1 x DTM |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 1mvt.1 GSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGV-DVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 1mvt.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 1mvt.1 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
5sd7.1.A |
Dihydrofolate reductase
Crystal Structure of Dihydrofolate Reductase from Homo sapiens bound to NADP and SDDC Inhibitor SDDC-735 |
0.71 |
|
28.30 |
1.00 |
1-159 |
X-ray |
1.80 |
monomer |
1 x NAP, 1 x I0E |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 5sd7.1 GSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGV-DVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 5sd7.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 5sd7.1 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
6vcj.1.A |
Dihydrofolate reductase
Crystal structure of hsDHFR in complex with NADP+, DAP, and R-naproxen |
0.71 |
|
28.30 |
1.00 |
1-159 |
X-ray |
2.34 |
monomer |
1 x LG3, 1 x NPX, 1 x NAP, 1 x FOL |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 6vcj.1 GSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGV-DVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 6vcj.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 6vcj.1 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
7ese.1.A |
Dihydrofolate reductase
The Crystal Structure of human DHFR from Biortus |
0.69 |
|
28.30 |
1.00 |
1-159 |
X-ray |
1.85 |
monomer |
1 x NAP, 1 x FOL |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 7ese.1 GSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGV-DVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 7ese.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 7ese.1 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
4ixg.1.A |
Dihydrofolate reductase
pcDHFR-268-K37S-N69F variant |
0.67 |
|
29.11 |
0.99 |
1-158 |
X-ray |
1.70 |
monomer |
1 x NDP, 1 x IXG |
HHblits |
0.36 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG----------HTLVMGRKTFESIG---KPLPNRRNVVLTSDT 4ixg.1 KSLTLIVALTTSYGIGRSNSLPWKLKKEISYFSRVTSFVPTFDSFESMNVVLMGRKTWESIPLQNRPLKGRINVVITRNE
target SFNV-EGVDVIHSIEDIYQL------------PGHVFIFGGQTLFEEMID--KVDDMYITVIEGKFRGDTFFPPYT-FED 4ixg.1 SLDLGNGIHSAKSLDHALELLYRTYGSESSVQINRIFVIGGAQLYKAAMDHPKLDRIMATIIYKDIHCDVFFPLKFRDKE
target WEVASSVEG--------------KLDEKNTIPHTFLHLIRKK 4ixg.1 WSSVWKKEKHSDLESWVGTKVPHGKINEDGFDYEFEMWTRD-
|
|
1u70.1.A |
Dihydrofolate reductase
Understanding the Role of Leu22 Variants in Methotrexate Resistance: Comparison of Wild-type and Leu22Arg Variant Mouse and Human Dihydrofolate Reductase |
0.69 |
|
28.93 |
1.00 |
1-159 |
X-ray |
2.50 |
monomer |
1 x MTX, 1 x NDP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 1u70.1 RPLNCIVAVSQNMGIGKNGDRPWPPLRNEFKYFQRMTTTSSVEGKQNLVIMGRKTWFSIPEKNRPLKDRINIVLSRELKE
target NVEG-VDVIHSIEDIYQL---------PGHVFIFGGQTLFEEMID--KVDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 1u70.1 PPRGAHFLAKSLDDALRLIEQPELASKVDMVWIVGGSSVYQEAMNQPGHLRLFVTRIMQEFESDTFFPEIDLGKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 1u70.1 YPGVLSEVQEEKGIKYKFEVYEKKD
|
|
3f8z.1.A |
Dihydrofolate reductase
Human Dihydrofolate Reductase Structural Data with Active Site Mutant Enzyme Complexes |
0.71 |
|
28.30 |
1.00 |
1-159 |
X-ray |
2.01 |
monomer |
1 x DH1, 1 x NDP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 3f8z.1 GSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFSRMTTTSSVEGKQNLVIMGKKTWFSIPEKSRPLKGRINLVLSRELKE
target NVEGV-DVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 3f8z.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 3f8z.1 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
2fzh.1.A |
Dihydrofolate reductase
New Insights into Dihydrofolate Reductase Interactions: Analysis of Pneumocystis carinii and Mouse DHFR Complexes with NADPH and Two Highly Potent Trimethoprim Derivatives |
0.67 |
|
29.11 |
0.99 |
1-158 |
X-ray |
2.10 |
monomer |
1 x NDP, 1 x DH1 |
HHblits |
0.36 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG----------HTLVMGRKTFESIG---KPLPNRRNVVLTSDT 2fzh.1 KSLTLIVALTTSYGIGRSNSLPWKLKKEISYFKRVTSFVPTFDSFESMNVVLMGRKTWESIPLQFRPLKGRINVVITRNE
target SFNV-EGVDVIHSIEDIYQ------------LPGHVFIFGGQTLFEEMID--KVDDMYITVIEGKFRGDTFFPPYT-FED 2fzh.1 SLDLGNGIHSAKSLDHALELLYRTYGSESSVQINRIFVIGGAQLYKAAMDHPKLDRIMATIIYKDIHCDVFFPLKFRDKE
target WEVASSVEG--------------KLDEKNTIPHTFLHLIRKK 2fzh.1 WSSVWKKEKHSDLESWVGTKVPHGKINEDGFDYEFEMWTRD-
|
|
1cd2.1.A |
DIHYDROFOLATE REDUCTASE
LIGAND INDUCED CONFORMATIONAL CHANGES IN THE CRYSTAL STRUCTURES OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COMPLEXES WITH FOLATE AND NADP+ |
0.67 |
|
29.11 |
0.99 |
1-158 |
X-ray |
2.20 |
monomer |
1 x NAP, 1 x FOL |
HHblits |
0.36 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG----------HTLVMGRKTFESIG---KPLPNRRNVVLTSDT 1cd2.1 KSLTLIVALTTSYGIGRSNSLPWKLKKEISYFKRVTSFVPTFDSFESMNVVLMGRKTWESIPLQFRPLKGRINVVITRNE
target SFNV-EGVDVIHSIEDIYQ------------LPGHVFIFGGQTLFEEMID--KVDDMYITVIEGKFRGDTFFPPYT-FED 1cd2.1 SLDLGNGIHSAKSLDHALELLYRTYGSESSVQINRIFVIGGAQLYKAAMDHPKLDRIMATIIYKDIHCDVFFPLKFRDKE
target WEVASSVEG--------------KLDEKNTIPHTFLHLIRKK 1cd2.1 WSSVWKKEKHSDLESWVGTKVPHGKINEDGFDYEFEMWTRD-
|
|
3cd2.1.A |
DIHYDROFOLATE REDUCTASE
LIGAND INDUCED CONFORMATIONAL CHANGES IN THE CRYSTAL STRUCTURES OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COMPLEXES WITH FOLATE AND NADP+ |
0.67 |
|
29.11 |
0.99 |
1-158 |
X-ray |
2.50 |
monomer |
1 x NAP, 1 x MTX |
HHblits |
0.36 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG----------HTLVMGRKTFESIG---KPLPNRRNVVLTSDT 3cd2.1 KSLTLIVALTTSYGIGRSNSLPWKLKKEISYFKRVTSFVPTFDSFESMNVVLMGRKTWESIPLQFRPLKGRINVVITRNE
target SFNV-EGVDVIHSIEDIYQ------------LPGHVFIFGGQTLFEEMID--KVDDMYITVIEGKFRGDTFFPPYT-FED 3cd2.1 SLDLGNGIHSAKSLDHALELLYRTYGSESSVQINRIFVIGGAQLYKAAMDHPKLDRIMATIIYKDIHCDVFFPLKFRDKE
target WEVASSVEG--------------KLDEKNTIPHTFLHLIRKK 3cd2.1 WSSVWKKEKHSDLESWVGTKVPHGKINEDGFDYEFEMWTRD-
|
|
4ixe.1.A |
Dihydrofolate reductase
pcDHFR-NADPH-270 |
0.69 |
|
29.11 |
0.99 |
1-158 |
X-ray |
1.54 |
monomer |
1 x IXE, 1 x NDP |
HHblits |
0.36 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG----------HTLVMGRKTFESIG---KPLPNRRNVVLTSDT 4ixe.1 KSLTLIVALTTSYGIGRSNSLPWKLKKEISYFKRVTSFVPTFDSFESMNVVLMGRKTWESIPLQFRPLKGRINVVITRNE
target SFNV-EGVDVIHSIEDIYQ------------LPGHVFIFGGQTLFEEMID--KVDDMYITVIEGKFRGDTFFPPYT-FED 4ixe.1 SLDLGNGIHSAKSLDHALELLYRTYGSESSVQINRIFVIGGAQLYKAAMDHPKLDRIMATIIYKDIHCDVFFPLKFRDKE
target WEVASSVEG--------------KLDEKNTIPHTFLHLIRKK 4ixe.1 WSSVWKKEKHSDLESWVGTKVPHGKINEDGFDYEFEMWTRD-
|
|
4qjz.1.A |
Dihydrofolate reductase
Pneumocystis carinii dihydrofolate reductase ternary complex with NADPH and the inhibitor 24, (N~6~-METHYL-N~6~-(NAPHTHALEN-1-YL)PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE) |
0.69 |
|
29.11 |
0.99 |
1-158 |
X-ray |
1.61 |
monomer |
1 x 33M, 1 x NDP |
HHblits |
0.36 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG----------HTLVMGRKTFESIG---KPLPNRRNVVLTSDT 4qjz.1 KSLTLIVALTTSYGIGRSNSLPWKLKKEISYFKRVTSFVPTFDSFESMNVVLMGRKTWESIPLQFRPLKGRINVVITRNE
target SFNV-EGVDVIHSIEDIYQ------------LPGHVFIFGGQTLFEEMID--KVDDMYITVIEGKFRGDTFFPPYT-FED 4qjz.1 SLDLGNGIHSAKSLDHALELLYRTYGSESSVQINRIFVIGGAQLYKAAMDHPKLDRIMATIIYKDIHCDVFFPLKFRDKE
target WEVASSVEG--------------KLDEKNTIPHTFLHLIRKK 4qjz.1 WSSVWKKEKHSDLESWVGTKVPHGKINEDGFDYEFEMWTRD-
|
|
1e26.1.A |
DIHYDROFOLATE REDUCTASE
Design, Synthesis and X-ray Crystal Structure of a Potent Dual Inhibitor of Thymidylate Synthase and Dihydrofolate Reductase as an Antitumor Agent. |
0.68 |
|
29.11 |
0.99 |
1-158 |
X-ray |
2.00 |
monomer |
1 x NAP, 1 x GPB |
HHblits |
0.36 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG----------HTLVMGRKTFESIG---KPLPNRRNVVLTSDT 1e26.1 KSLTLIVALTTSYGIGRSNSLPWKLKKEISYFKRVTSFVPTFDSFESMNVVLMGRKTWESIPLQFRPLKGRINVVITRNE
target SFNV-EGVDVIHSIEDIYQ------------LPGHVFIFGGQTLFEEMID--KVDDMYITVIEGKFRGDTFFPPYT-FED 1e26.1 SLDLGNGIHSAKSLDHALELLYRTYGSESSVQINRIFVIGGAQLYKAAMDHPKLDRIMATIIYKDIHCDVFFPLKFRDKE
target WEVASSVEG--------------KLDEKNTIPHTFLHLIRKK 1e26.1 WSSVWKKEKHSDLESWVGTKVPHGKINEDGFDYEFEMWTRD-
|
|
4cd2.1.A |
DIHYDROFOLATE REDUCTASE
LIGAND INDUCED CONFORMATIONAL CHANGES IN THE CRYSTAL STRUCTURES OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COMPLEXES WITH FOLATE AND NADP+ |
0.64 |
|
29.11 |
0.99 |
1-158 |
X-ray |
2.00 |
monomer |
1 x FOL |
HHblits |
0.36 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG----------HTLVMGRKTFESIG---KPLPNRRNVVLTSDT 4cd2.1 KSLTLIVALTTSYGIGRSNSLPWKLKKEISYFKRVTSFVPTFDSFESMNVVLMGRKTWESIPLQFRPLKGRINVVITRNE
target SFNV-EGVDVIHSIEDIYQ------------LPGHVFIFGGQTLFEEMID--KVDDMYITVIEGKFRGDTFFPPYT-FED 4cd2.1 SLDLGNGIHSAKSLDHALELLYRTYGSESSVQINRIFVIGGAQLYKAAMDHPKLDRIMATIIYKDIHCDVFFPLKFRDKE
target WEVASSVEG--------------KLDEKNTIPHTFLHLIRKK 4cd2.1 WSSVWKKEKHSDLESWVGTKVPHGKINEDGFDYEFEMWTRD-
|
|
1s3y.1.A |
Dihydrofolate reductase
Structure Determination of Tetrahydroquinazoline Antifolates in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry |
0.66 |
|
29.11 |
0.99 |
1-158 |
X-ray |
2.25 |
monomer |
1 x NAP, 1 x TQT |
HHblits |
0.36 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG----------HTLVMGRKTFESIG---KPLPNRRNVVLTSDT 1s3y.1 KSLTLIVALTTSYGIGRSNSLPWKLKKEISYFKRVTSFVPTFDSFESMNVVLMGRKTWESIPLQFRPLKGRINVVITRNE
target SFNV-EGVDVIHSIEDIYQ------------LPGHVFIFGGQTLFEEMID--KVDDMYITVIEGKFRGDTFFPPYT-FED 1s3y.1 SLDLGNGIHSAKSLDHALELLYRTYGSESSVQINRIFVIGGAQLYKAAMDHPKLDRIMATIIYKDIHCDVFFPLKFRDKE
target WEVASSVEG--------------KLDEKNTIPHTFLHLIRKK 1s3y.1 WSSVWKKEKHSDLESWVGTKVPHGKINEDGFDYEFEMWTRD-
|
|
1klk.1.A |
Dihydrofolate reductase
CRYSTAL STRUCTURE OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE TERNARY COMPLEX WITH PT653 AND NADPH |
0.67 |
|
29.11 |
0.99 |
1-158 |
X-ray |
2.30 |
monomer |
1 x PMD, 1 x NDP |
HHblits |
0.36 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG----------HTLVMGRKTFESIG---KPLPNRRNVVLTSDT 1klk.1 KSLTLIVALTTSYGIGRSNSLPWKLKKEISYFKRVTSFVPTFDSFESMNVVLMGRKTWESIPLQFRPLKGRINVVITRNE
target SFNV-EGVDVIHSIEDIYQ------------LPGHVFIFGGQTLFEEMID--KVDDMYITVIEGKFRGDTFFPPYT-FED 1klk.1 SLDLGNGIHSAKSLDHALELLYRTYGSESSVQINRIFVIGGAQLYKAAMDHPKLDRIMATIIYKDIHCDVFFPLKFRDKE
target WEVASSVEG--------------KLDEKNTIPHTFLHLIRKK 1klk.1 WSSVWKKEKHSDLESWVGTKVPHGKINEDGFDYEFEMWTRD-
|
|
3nxo.1.A |
Dihydrofolate reductase
Perferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro[2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase |
0.71 |
|
28.30 |
1.00 |
1-159 |
X-ray |
1.35 |
monomer |
1 x D2B, 1 x NDP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 3nxo.1 GSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPERNRPLKGRINLVLSRELKE
target NVEG-VDVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 3nxo.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 3nxo.1 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
3ghc.1.A |
Dihydrofolate reductase
Design, Synthesis, and X-ray Crystal Structure of Classical and Nonclassical 2-amino-4-oxo-5-substituted-6-thieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors and as potential antitumor agenst |
0.71 |
|
28.30 |
1.00 |
1-159 |
X-ray |
1.30 |
monomer |
1 x GHC, 1 x NDP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 3ghc.1 GSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFSRMTTTSSVEGKQNLVIMGKKTWFSIPEKSRPLKGRINLVLSRELKE
target NVEG-VDVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 3ghc.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 3ghc.1 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
1hfp.1.A |
DIHYDROFOLATE REDUCTASE
COMPARISON OF TERNARY CRYSTAL COMPLEXES OF HUMAN DIHYDROFOLATE REDUCTASE WITH NADPH AND A CLASSICAL ANTITUMOR FUROPYRIMDINE |
0.71 |
|
28.30 |
1.00 |
1-159 |
X-ray |
2.10 |
monomer |
1 x NDP, 1 x MOT |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 1hfp.1 GSLNCIVAVSQNMGIGKNGDLPWPPLRNEGRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGV-DVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 1hfp.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 1hfp.1 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
1dlr.1.A |
DIHYDROFOLATE REDUCTASE
METHOTREXATE-RESISTANT VARIANTS OF HUMAN DIHYDROFOLATE REDUCTASE WITH SUBSTITUTION OF LEUCINE 22: KINETICS, CRYSTALLOGRAPHY AND POTENTIAL AS SELECTABLE MARKERS |
0.71 |
|
27.67 |
1.00 |
1-159 |
X-ray |
2.30 |
monomer |
1 x NDP, 1 x MXA |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 1dlr.1 GSLNCIVAVSQNMGIGKNGDFPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGV-DVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 1dlr.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 1dlr.1 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
3n0h.1.A |
Dihydrofolate reductase
hDHFR double mutant Q35S/N64F Trimethoprim Binary Complex |
0.70 |
|
28.30 |
1.00 |
1-159 |
X-ray |
1.92 |
monomer |
2 x TOP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 3n0h.1 GSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFSRMTTTSSVEGKQNLVIMGKKTWFSIPEKFRPLKGRINLVLSRELKE
target NVEG-VDVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 3n0h.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 3n0h.1 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
8dae.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase 1
Arabidopsis thaliana bifunctional dihydrofolate reductase-thymidylate synthase |
0.72 |
|
33.97 |
0.98 |
1-158 |
X-ray |
2.00 |
homo-tetramer |
|
HHblits |
0.36 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFN 8dae.1 RTYQVVVAATKEMGIGKDGKLPWNLPTDLKFFKDITLTTSDSSKKNAVVMGRKTWESIPIKYRPLSGRLNVVLTRSGGFD
target V---EGVDVIHSIEDIYQL---------PGHVFIFGGQTLFEEMI--DKVDDMYITVIEGKFRGDTFFPPYTFEDWEVAS 8dae.1 IANTENVVTCSSVDSALDLLAAPPYCLSIERVFVIGGGDILREALNRPSCDAIHLTEIDTSVDCDTFIPAIDTSVYQPWS
target SVEGKLDEKNTIPHTFLHLIRKK 8dae.1 SSF--PVTENGLRFCFTTFVRV-
|
|
1hfq.1.A |
DIHYDROFOLATE REDUCTASE
COMPARISON OF TERNARY CRYSTAL COMPLEXES OF HUMAN DIHYDROFOLATE REDUCTASE WITH NADPH AND A CLASSICAL ANTITUMOR FUROPYRIMDINE |
0.71 |
|
28.30 |
1.00 |
1-159 |
X-ray |
2.10 |
monomer |
1 x NDP, 1 x MOT |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 1hfq.1 GSLNCIVAVSQNMGIGKNGDLPWPPLRNESRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEG-VDVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 1hfq.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 1hfq.1 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
1dls.1.A |
DIHYDROFOLATE REDUCTASE
METHOTREXATE-RESISTANT VARIANTS OF HUMAN DIHYDROFOLATE REDUCTASE WITH SUBSTITUTION OF LEUCINE 22: KINETICS, CRYSTALLOGRAPHY AND POTENTIAL AS SELECTABLE MARKERS |
0.71 |
|
27.67 |
1.00 |
1-159 |
X-ray |
2.30 |
monomer |
1 x NDP, 1 x MTX |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 1dls.1 GSLNCIVAVSQNMGIGKNGDYPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGV-DVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 1dls.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 1dls.1 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
3f91.1.A |
Dihydrofolate reductase
Structural Data for Human Active Site Mutant Enzyme Complexes |
0.71 |
|
27.67 |
1.00 |
1-159 |
X-ray |
1.90 |
monomer |
1 x DH1, 1 x NDP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 3f91.1 GSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFSRMTTTSSVEGKQNLVIMGKKTWFSIPEKFRPLKGRINLVLSRELKE
target NVEGV-DVIHSIEDIYQ---------LPGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 3f91.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 3f91.1 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
1pd8.1.A |
Dihydrofolate reductase
Analysis of Three Crystal Structure Determinations of a 5-Methyl-6-N-Methylanilino Pyridopyrimidine Antifolate Complex with Human Dihydrofolate Reductase |
0.71 |
|
28.48 |
0.99 |
2-159 |
X-ray |
2.10 |
monomer |
1 x NDP, 1 x CO4 |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 1pd8.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGV-DVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 1pd8.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 1pd8.1 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
1pd9.1.A |
Dihydrofolate reductase
Analysis of Three Crystal Structure Determinations of a 5-Methyl-6-N-Methylanilino Pyridopyrimidine antifolate Complex with Human Dihydrofolate Reductase |
0.71 |
|
28.48 |
0.99 |
2-159 |
X-ray |
2.20 |
monomer |
1 x CO4 |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 1pd9.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGV-DVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 1pd9.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 1pd9.1 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
1s3v.1.A |
Dihydrofolate reductase
Structure Determination of Tetrahydroquinazoline Antifolates in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry |
0.70 |
|
28.48 |
0.99 |
2-159 |
X-ray |
1.80 |
monomer |
1 x TQD |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 1s3v.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGV-DVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 1s3v.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 1s3v.1 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
4keb.1.A |
Dihydrofolate reductase
Human dihydrofolate reductase complexed with NADPH and 5-{3-[3-methoxy-5-(isoquin-5-yl)phenyl]but-1-yn-1-yl}6-ethylpyrimidine-2,4-diamine |
0.70 |
|
28.48 |
0.99 |
2-159 |
X-ray |
1.45 |
monomer |
1 x NDP, 1 x 1QZ |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 4keb.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGV-DVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 4keb.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 4keb.1 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
4kd7.2.A |
Dihydrofolate reductase
Human dihydrofolate reductase complexed with NADPH and 5-{3-[3-methoxy-5(pyridine-4-yl)phenyl]prop-1-yn-1-yl}-6-ethyl-pyrimidine-2,4-diamine |
0.70 |
|
28.48 |
0.99 |
2-159 |
X-ray |
2.72 |
monomer |
1 x NDP, 1 x 9DR |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 4kd7.2 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGV-DVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 4kd7.2 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 4kd7.2 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
1dhf.1.A |
DIHYDROFOLATE REDUCTASE
CRYSTAL STRUCTURES OF RECOMBINANT HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE AND 5-DEAZOFOLATE |
0.70 |
|
28.48 |
0.99 |
2-159 |
X-ray |
2.30 |
homo-dimer |
2 x FOL |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 1dhf.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGV-DVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 1dhf.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 1dhf.1 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
1dhf.1.B |
DIHYDROFOLATE REDUCTASE
CRYSTAL STRUCTURES OF RECOMBINANT HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE AND 5-DEAZOFOLATE |
0.70 |
|
28.48 |
0.99 |
2-159 |
X-ray |
2.30 |
homo-dimer |
2 x FOL |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 1dhf.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGV-DVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 1dhf.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 1dhf.1 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
5hsr.1.A |
Dihydrofolate reductase
Fluorine substituted 5-methyl-6-(3',4'-difluoromethoxyphenythio)thieno[2,3-d]pyrimidine-2,4-diamine |
0.71 |
|
28.48 |
0.99 |
2-159 |
X-ray |
1.21 |
monomer |
1 x NDP, 2 x 63Y |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 5hsr.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGV-DVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 5hsr.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 5hsr.1 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
1pdb.1.A |
Dihydrofolate reductase
Analysis of Three Crystal Structure Determinations of a 5-Methyl-6-N-Methylanilino Pyridopyrimidine Antifolate Complex with Human Dihydrofolate Reductase |
0.69 |
|
28.48 |
0.99 |
2-159 |
X-ray |
2.20 |
monomer |
|
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 1pdb.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGV-DVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 1pdb.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 1pdb.1 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
4g95.1.A |
Dihydrofolate reductase
hDHFR-OAG binary complex |
0.71 |
|
28.48 |
0.99 |
2-159 |
X-ray |
1.35 |
monomer |
1 x OAG |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 4g95.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGV-DVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 4g95.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 4g95.1 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
3s7a.1.A |
Dihydrofolate reductase
Human dihydrofolate reductase binary complex with PT684 |
0.70 |
|
28.48 |
0.99 |
2-159 |
X-ray |
1.80 |
monomer |
1 x 684 |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 3s7a.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGV-DVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 3s7a.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 3s7a.1 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
4keb.2.A |
Dihydrofolate reductase
Human dihydrofolate reductase complexed with NADPH and 5-{3-[3-methoxy-5-(isoquin-5-yl)phenyl]but-1-yn-1-yl}6-ethylpyrimidine-2,4-diamine |
0.70 |
|
28.48 |
0.99 |
2-159 |
X-ray |
1.45 |
monomer |
1 x NDP, 1 x FOL |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 4keb.2 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGV-DVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 4keb.2 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 4keb.2 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
1drf.1.A |
DIHYDROFOLATE REDUCTASE
CRYSTAL STRUCTURE OF HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE |
0.71 |
|
28.48 |
0.99 |
2-159 |
X-ray |
2.00 |
monomer |
1 x FOL |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 1drf.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGV-DVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 1drf.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 1drf.1 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
1ohk.1.A |
DIHYDROFOLATE REDUCTASE
HUMAN DIHYDROFOLATE REDUCTASE, ORTHORHOMBIC (P21 21 21) CRYSTAL FORM |
0.68 |
|
28.48 |
0.99 |
2-159 |
X-ray |
2.50 |
monomer |
1 x NDP, 1 x COP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 1ohk.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGV-DVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 1ohk.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 1ohk.1 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
1ohj.1.A |
DIHYDROFOLATE REDUCTASE
HUMAN DIHYDROFOLATE REDUCTASE, MONOCLINIC (P21) CRYSTAL FORM |
0.70 |
|
28.48 |
0.99 |
2-159 |
X-ray |
2.50 |
monomer |
1 x NDP, 1 x COP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 1ohj.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGV-DVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 1ohj.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 1ohj.1 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
1kmv.1.A |
DIHYDROFOLATE REDUCTASE
HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND (Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN-1-YL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE (SRI-9662), A LIPOPHILIC ANTIFOLATE |
0.70 |
|
28.48 |
0.99 |
2-159 |
X-ray |
1.05 |
monomer |
1 x LII, 1 x NDP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 1kmv.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGV-DVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 1kmv.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 1kmv.1 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
1yho.1.A |
Dihydrofolate reductase
Solution structure of human dihydrofolate reductase complexed with trimethoprim and nadph, 25 structures |
0.64 |
|
28.48 |
0.99 |
2-159 |
NMR |
0.00 |
monomer |
1 x NDP, 1 x TRR |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 1yho.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGV-DVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 1yho.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 1yho.1 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
1u71.1.A |
Dihydrofolate reductase
Understanding the Role of Leu22 Variants in Methotrexate Resistance: Comparison of Wild-type and Leu22Arg Variant Mouse and Human Dihydrofolate Reductase Ternary Crystal Complexes with Methotrexate and NADPH |
0.71 |
|
27.67 |
1.00 |
1-159 |
X-ray |
2.20 |
monomer |
1 x MXA |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 1u71.1 GSLNCIVAVSQNMGIGKNGDRPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEG-VDVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 1u71.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 1u71.1 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
3eig.1.A |
Dihydrofolate reductase
Crystal structure of a methotrexate-resistant mutant of human dihydrofolate reductase |
0.69 |
|
28.48 |
0.99 |
2-159 |
X-ray |
1.70 |
monomer |
1 x MTX, 1 x CD |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 3eig.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNERRYFERMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGV-DVIHSIEDIYQL---------PGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 3eig.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEG---KLDEKNTIPHTFLHLIRKK 3eig.1 YPGVLSDVQEEKGIKYKFEVYEKND
|
|
1ia2.2.A |
DIHYDROFOLATE REDUCTASE
Candida albicans dihydrofolate reductase complexed with dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH) and 5-[(4-METHYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE (GW578) |
0.68 |
|
30.57 |
0.99 |
1-158 |
X-ray |
1.82 |
monomer |
1 x NDP, 1 x TQ4, 1 x MES |
HHblits |
0.36 |
target MTLSILVAH-DLQRVIGFENQLPWHLPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 1ia2.2 PNVAIIVAALKPALGIGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWESIPQKFRPLPDRLNIILSRSYEN
target N--VEGVDVIHSIEDIYQL---PGHVFIFGGQTLFEEMID--KVDDMYITVIEGK----FRGDTFFPPYTFEDWEVASSV 1ia2.2 EIIDDNIIHASSIESSLNLVSDVERVFIIGGAEIYNELINNSLVSHLLITEIEHPSPESIEMDTFLKF-PLESWTKQPKS
target EGK----------LDEKNTIPHTFLHLIRKK 1ia2.2 ELQKFVGDTVLEDDIKEGDFTYNYTLWTRK-
|
|
1ia2.1.A |
DIHYDROFOLATE REDUCTASE
Candida albicans dihydrofolate reductase complexed with dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH) and 5-[(4-METHYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE (GW578) |
0.66 |
|
30.57 |
0.99 |
1-158 |
X-ray |
1.82 |
monomer |
1 x NDP, 1 x TQ4, 1 x MES |
HHblits |
0.36 |
target MTLSILVAH-DLQRVIGFENQLPWHLPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 1ia2.1 PNVAIIVAALKPALGIGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWESIPQKFRPLPDRLNIILSRSYEN
target N--VEGVDVIHSIEDIYQL---PGHVFIFGGQTLFEEMID--KVDDMYITVIEGK----FRGDTFFPPYTFEDWEVASSV 1ia2.1 EIIDDNIIHASSIESSLNLVSDVERVFIIGGAEIYNELINNSLVSHLLITEIEHPSPESIEMDTFLKF-PLESWTKQPKS
target EGK----------LDEKNTIPHTFLHLIRKK 1ia2.1 ELQKFVGDTVLEDDIKEGDFTYNYTLWTRK-
|
|
3qlw.1.A |
Putative uncharacterized protein CaJ7.0360
Candida albicans dihydrofolate reductase complexed with NADPH and 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine (UCP120B) |
0.68 |
|
30.57 |
0.99 |
1-158 |
X-ray |
2.50 |
monomer |
1 x NDP, 1 x N22 |
HHblits |
0.36 |
target MTLSILVAH-DLQRVIGFENQLPWHLPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 3qlw.1 PNVAIIVAALKPALGIGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWESIPQKFRPLPDRLNIILSRSYEN
target N--VEGVDVIHSIEDIYQL---PGHVFIFGGQTLFEEMID--KVDDMYITVIEGK----FRGDTFFPPYTFEDWEVASSV 3qlw.1 EIIDDNIIHASSIESSLNLVSDVERVFIIGGAEIYNELINNSLVSHLLITEIEHPSPESIEMDTFLKF-PLESWTKQPKS
target EGK----------LDEKNTIPHTFLHLIRKK 3qlw.1 ELQKFVGDTVLEDDIKEGDFTYNYTLWTRK-
|
|
3qls.1.A |
Putative uncharacterized protein CaJ7.0360
Candida albicans dihydrofolate reductase complexed with NADPH and 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP115A) |
0.68 |
|
30.57 |
0.99 |
1-158 |
X-ray |
1.73 |
monomer |
1 x NDP, 1 x 55V, 1 x GLY |
HHblits |
0.36 |
target MTLSILVAH-DLQRVIGFENQLPWHLPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 3qls.1 PNVAIIVAALKPALGIGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWESIPQKFRPLPDRLNIILSRSYEN
target N--VEGVDVIHSIEDIYQL---PGHVFIFGGQTLFEEMID--KVDDMYITVIEGK----FRGDTFFPPYTFEDWEVASSV 3qls.1 EIIDDNIIHASSIESSLNLVSDVERVFIIGGAEIYNELINNSLVSHLLITEIEHPSPESIEMDTFLKF-PLESWTKQPKS
target EGK----------LDEKNTIPHTFLHLIRKK 3qls.1 ELQKFVGDTVLEDDIKEGDFTYNYTLWTRK-
|
|
1dr1.2.B |
DIHYDROFOLATE REDUCTASE
2.2 ANGSTROMS CRYSTAL STRUCTURE OF CHICKEN LIVER DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADP+ AND BIOPTERIN |
0.69 |
|
27.04 |
1.00 |
1-159 |
X-ray |
2.20 |
homo-dimer |
2 x CA, 2 x NAP, 2 x HBI |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 1dr1.2 RSLNSIVAVCQNMGIGKDGNLPWPPLRNEYKYFQRMTSTSHVEGKQNAVIMGKKTWFSIPEKNRPLKDRINIVLSRELKE
target NVEGV-DVIHSIEDIYQ---------LPGHVFIFGGQTLFEEMI--DKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASS 1dr1.2 APKGAHYLSKSLDDALALLDSPELKSKVDMVWIVGGTAVYKAAMEKPINHRLFVTRILHEFESDTFFPEIDYKDFKLLTE
target VEGK---LDEKNTIPHTFLHLIRKK 1dr1.2 YPGVPADIQEEDGIQYKFEVYQKSV
|
|
4h97.1.A |
Dihydrofolate Reductase
Candida albicans dihydrofolate reductase complexed with NADPH and 5-{3-[3-methoxy-5-(4-methylphenyl)phenyl]but-1-yn-1-yl}-6-methylpyrimidine-2,4-diamine (UCP111D4M) |
0.67 |
|
30.57 |
0.99 |
1-158 |
X-ray |
2.20 |
monomer |
1 x NDP, 1 x 53S |
HHblits |
0.36 |
target MTLSILVA-HDLQRVIGFENQLPWHLPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 4h97.1 PNVAIIVAALKPALGIGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWESIPQKFRPLPDRLNIILSRSYEN
target N--VEGVDVIHSIEDIYQL---PGHVFIFGGQTLFEEMID--KVDDMYITVIEGK----FRGDTFFPPYTFEDWEVASSV 4h97.1 EIIDDNIIHASSIESSLNLVSDVERVFIIGGAEIYNELINNSLVSHLLITEIEHPSPESIEMDTFLKF-PLESWTKQPKS
target EGK----------LDEKNTIPHTFLHLIRKK 4h97.1 ELQKFVGDTVLEDDIKEGDFTYNYTLWTRK-
|
|
8e4f.1.A |
Dihydrofolate reductase
Crystal structure of dihydrofolate reductase (DHFR) from the filarial nematode W. bancrofti in complex with NADPH and folate |
0.72 |
|
31.65 |
0.99 |
1-159 |
X-ray |
2.47 |
monomer |
1 x NAP, 1 x FOL |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLST-------GHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFN 8e4f.1 LHMNLIVAVDGCGGIGRNGGMPWFLPAEMARFAKLTTLTTDSGKKNAVIMGRKVWESIPPKFRPLKSRFNVVLSKKMKEE
target V-EGVDVIHSIEDIYQL------PGHVFIFGGQTLFEEMI--DKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGK 8e4f.1 SNENVVVARSFESAVSLLQDMENIETIWNIGGREVYELGLNSPFLHQMYITRVEGDFLADVFFPRVDYGRFIKSTESEEM
target LDEKNTIPHTFLHLIRKK 8e4f.1 -HEEKGIKYRYEIYTIKT
|
|
7zzx.1.A |
Dihydrofolate reductase
Crystal structure of Candida auris DHFR in apo form |
0.64 |
|
27.22 |
0.99 |
1-159 |
X-ray |
2.40 |
monomer |
|
HHblits |
0.35 |
target MTLSILVAH-DLQRVIGFENQLPWHLPNDLKHVKKLSTG------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFN 7zzx.1 PKISLIVAALQPSMGIGAKGSLPWRLKNEMKYFKDVTSKAKDGHINAVVMGRKTWELIPERFRPLAGRLNVILSRKNDDL
target V--EGVDVIHSIEDIYQL------------PGHVFIFGGQTLFEEMI--DKVDDMYITVIEGKF------RGDTFFPPYT 7zzx.1 IDSNGVYHFSSFDSVMKHLEKDSFRFKDMPLDKIFIIGGSQIYNLLILDSRVDNLLVTQVHFVGEDADKPQMDTFL-DWD
target FEDWEVASSVEG----------KLDEKNTIPHTFLHLIRKK 7zzx.1 LSKWKRLEHDKLEQYVGLDVPRGLNEEGSYNYEYTMWEKAQ
|
|
8a0z.1.A |
Dihydrofolate reductase
Crystal structure of Candida auris dihydrofolate reductase complexed with NADPH and pyrimethamine |
0.67 |
|
27.22 |
0.99 |
1-159 |
X-ray |
1.70 |
monomer |
1 x NDP, 1 x CP6 |
HHblits |
0.35 |
target MTLSILVAH-DLQRVIGFENQLPWHLPNDLKHVKKLSTG------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFN 8a0z.1 PKISLIVAALQPSMGIGAKGSLPWRLKNEMKYFKDVTSKAKDGHINAVVMGRKTWELIPERFRPLAGRLNVILSRKNDDL
target V--EGVDVIHSIEDIYQL------------PGHVFIFGGQTLFEEMI--DKVDDMYITVIEGKF------RGDTFFPPYT 8a0z.1 IDSNGVYHFSSFDSVMKHLEKDSFRFKDMPLDKIFIIGGSQIYNLLILDSRVDNLLVTQVHFVGEDADKPQMDTFL-DWD
target FEDWEVASSVEG----------KLDEKNTIPHTFLHLIRKK 8a0z.1 LSKWKRLEHDKLEQYVGLDVPRGLNEEGSYNYEYTMWEKAQ
|
|
8a0z.2.A |
Dihydrofolate reductase
Crystal structure of Candida auris dihydrofolate reductase complexed with NADPH and pyrimethamine |
0.68 |
|
27.22 |
0.99 |
1-159 |
X-ray |
1.70 |
monomer |
1 x NDP, 1 x CP6 |
HHblits |
0.35 |
target MTLSILVAH-DLQRVIGFENQLPWHLPNDLKHVKKLSTG------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFN 8a0z.2 PKISLIVAALQPSMGIGAKGSLPWRLKNEMKYFKDVTSKAKDGHINAVVMGRKTWELIPERFRPLAGRLNVILSRKNDDL
target V--EGVDVIHSIEDIYQL------------PGHVFIFGGQTLFEEMI--DKVDDMYITVIEGKF------RGDTFFPPYT 8a0z.2 IDSNGVYHFSSFDSVMKHLEKDSFRFKDMPLDKIFIIGGSQIYNLLILDSRVDNLLVTQVHFVGEDADKPQMDTFL-DWD
target FEDWEVASSVEG----------KLDEKNTIPHTFLHLIRKK 8a0z.2 LSKWKRLEHDKLEQYVGLDVPRGLNEEGSYNYEYTMWEKAQ
|
|
4g8z.1.A |
Dihydrofolate reductase
pcDHFR K37S/F69N double mutant TMP NADPH ternary complex |
0.67 |
|
27.85 |
0.99 |
1-158 |
X-ray |
1.75 |
monomer |
1 x TOP, 1 x NDP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG----------HTLVMGRKTFESIG---KPLPNRRNVVLTSDT 4g8z.1 KSLTLIVALTTSYGIGRSNSLPWKLKKEISYFSRVTSFVPTFDSFESMNVVLMGRKTWESIPLQNRPLKGRINVVITRNA
target SFNV-EGVDVIHSIEDIYQL------------PGHVFIFGGQTLFEEMID--KVDDMYITVIEGKFRGDTFFPPYT-FED 4g8z.1 AAAAAAAIHSAKSLDHALELLYRTYGSESSVQINRIFVIGGAQLYKAAMDHPKLDRIMATIIYKDIHCDVFFPLKFRDKE
target WEVASSVE--------------GKLDEKNTIPHTFLHLIRKK 4g8z.1 WSSVWKKEKHSDLESWVGTKVPHGKINEDGFDYEFEMWTRD-
|
|
3irm.2.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase COMPLEXED WITH Cycloguanil |
0.65 |
|
31.01 |
0.99 |
1-158 |
X-ray |
2.10 |
homo-dimer |
2 x 1CY |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG-------------HTLVMGRKTFESIG---KPLPNRRNVVLT 3irm.2 RAFSLVVAVDEHGGIGDGRSIPWNVPEDMKFFRDLTTKLRGKNVKPSPAKRNAVVMGRKTWDSIPPKFRPLPGRLNVVLS
target SDTSFN---------------VEG-VDVIHSIEDIYQL---------PGHVFIFGGQTLFEEMID-----KVDDMYITVI 3irm.2 STLTTQHLLDGLPDEEKRNLHADSIVAVNGGLEQALRLLASPNYTPSIETVYCIGGGSVYAEALRPPCVHLLQAIYRTTI
target EGKF-RGDTFFPPYTF-------EDWEVASSVEGKL-DEKNTIPHTFLHLIRKK 3irm.2 RASESSCSVFFRVPESGTEAAAGIEWQRETISEELTSANGNETKYYFEKLIPR-
|
|
3irn.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase COMPLEXED WITH NADPH AND Cycloguanil |
0.65 |
|
31.01 |
0.99 |
1-158 |
X-ray |
2.60 |
homo-dimer |
2 x 1CY, 2 x NDP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG-------------HTLVMGRKTFESIG---KPLPNRRNVVLT 3irn.1 RAFSLVVAVDEHGGIGDGRSIPWNVPEDMKFFRDLTTKLRGKNVKPSPAKRNAVVMGRKTWDSIPPKFRPLPGRLNVVLS
target SDTSFN---------------VEG-VDVIHSIEDIYQL---------PGHVFIFGGQTLFEEMID-----KVDDMYITVI 3irn.1 STLTTQHLLDGLPDEEKRNLHADSIVAVNGGLEQALRLLASPNYTPSIETVYCIGGGSVYAEALRPPCVHLLQAIYRTTI
target EGKF-RGDTFFPPYTF-------EDWEVASSVEGKL-DEKNTIPHTFLHLIRKK 3irn.1 RASESSCSVFFRVPESGTEAAAGIEWQRETISEELTSANGNETKYYFEKLIPR-
|
|
3irn.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase COMPLEXED WITH NADPH AND Cycloguanil |
0.66 |
|
31.01 |
0.99 |
1-158 |
X-ray |
2.60 |
homo-dimer |
2 x 1CY, 2 x NDP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG-------------HTLVMGRKTFESIG---KPLPNRRNVVLT 3irn.1 RAFSLVVAVDEHGGIGDGRSIPWNVPEDMKFFRDLTTKLRGKNVKPSPAKRNAVVMGRKTWDSIPPKFRPLPGRLNVVLS
target SDTSFN---------------VEG-VDVIHSIEDIYQL---------PGHVFIFGGQTLFEEMID-----KVDDMYITVI 3irn.1 STLTTQHLLDGLPDEEKRNLHADSIVAVNGGLEQALRLLASPNYTPSIETVYCIGGGSVYAEALRPPCVHLLQAIYRTTI
target EGKF-RGDTFFPPYTF-------EDWEVASSVEGKL-DEKNTIPHTFLHLIRKK 3irn.1 RASESSCSVFFRVPESGTEAAAGIEWQRETISEELTSANGNETKYYFEKLIPR-
|
|
3irn.2.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase COMPLEXED WITH NADPH AND Cycloguanil |
0.66 |
|
31.01 |
0.99 |
1-158 |
X-ray |
2.60 |
homo-dimer |
2 x 1CY, 2 x NDP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG-------------HTLVMGRKTFESIG---KPLPNRRNVVLT 3irn.2 RAFSLVVAVDEHGGIGDGRSIPWNVPEDMKFFRDLTTKLRGKNVKPSPAKRNAVVMGRKTWDSIPPKFRPLPGRLNVVLS
target SDTSFN---------------VEG-VDVIHSIEDIYQL---------PGHVFIFGGQTLFEEMID-----KVDDMYITVI 3irn.2 STLTTQHLLDGLPDEEKRNLHADSIVAVNGGLEQALRLLASPNYTPSIETVYCIGGGSVYAEALRPPCVHLLQAIYRTTI
target EGKF-RGDTFFPPYTF-------EDWEVASSVEGKL-DEKNTIPHTFLHLIRKK 3irn.2 RASESSCSVFFRVPESGTEAAAGIEWQRETISEELTSANGNETKYYFEKLIPR-
|
|
3irn.2.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase COMPLEXED WITH NADPH AND Cycloguanil |
0.64 |
|
31.01 |
0.99 |
1-158 |
X-ray |
2.60 |
homo-dimer |
2 x 1CY, 2 x NDP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG-------------HTLVMGRKTFESIG---KPLPNRRNVVLT 3irn.2 RAFSLVVAVDEHGGIGDGRSIPWNVPEDMKFFRDLTTKLRGKNVKPSPAKRNAVVMGRKTWDSIPPKFRPLPGRLNVVLS
target SDTSFN---------------VEG-VDVIHSIEDIYQL---------PGHVFIFGGQTLFEEMID-----KVDDMYITVI 3irn.2 STLTTQHLLDGLPDEEKRNLHADSIVAVNGGLEQALRLLASPNYTPSIETVYCIGGGSVYAEALRPPCVHLLQAIYRTTI
target EGKF-RGDTFFPPYTF-------EDWEVASSVEGKL-DEKNTIPHTFLHLIRKK 3irn.2 RASESSCSVFFRVPESGTEAAAGIEWQRETISEELTSANGNETKYYFEKLIPR-
|
|
3inv.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase COMPLEXED WITH NADPH, dUMP AND C-448 ANTIFOLATE |
0.66 |
|
31.01 |
0.99 |
1-158 |
X-ray |
2.37 |
homo-dimer |
2 x C50, 2 x NDP, 2 x UMP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG-------------HTLVMGRKTFESIG---KPLPNRRNVVLT 3inv.1 RAFSLVVAVDEHGGIGDGRSIPWNVPEDMKFFRDLTTKLRGKNVKPSPAKRNAVVMGRKTWDSIPPKFRPLPGRLNVVLS
target SDTSFN---------------VEG-VDVIHSIEDIYQL---------PGHVFIFGGQTLFEEMID-----KVDDMYITVI 3inv.1 STLTTQHLLDGLPDEEKRNLHADSIVAVNGGLEQALRLLASPNYTPSIETVYCIGGGSVYAEALRPPCVHLLQAIYRTTI
target EGKF-RGDTFFPPYTF-------EDWEVASSVEGKL-DEKNTIPHTFLHLIRKK 3inv.1 RASESSCSVFFRVPESGTEAAAGIEWQRETISEELTSANGNETKYYFEKLIPR-
|
|
8crh.1.A |
Dihydrofolate reductase
Crystal structure of Candida auris dihydrofolate reductase complexed with NADPH and cycloguanil |
0.69 |
|
27.22 |
0.99 |
1-159 |
X-ray |
1.30 |
homo-dimer |
4 x VIL, 2 x NDP |
HHblits |
0.35 |
target MTLSILVAH-DLQRVIGFENQLPWHLPNDLKHVKKLSTG------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFN 8crh.1 PKISLIVAALQPSMGIGAKGSLPWRLKNEMKYFKDVTSKAKDGHINAVVMGRKTWELIPERFRPLAGRLNVILSRKNDDL
target V--EGVDVIHSIEDIYQL------------PGHVFIFGGQTLFEEMID--KVDDMYITVIEGKF------RGDTFFPPYT 8crh.1 IDSNGVYHFSSFDSVMKHLEKDSFRFKDMPLDKIFIIGGSQIYNLLILDSRVDNLLVTQVHFVGEDADKPQMDTFLD-WD
target FEDWEVASSVEGK----------LDEKNTIPHTFLHLIRKK 8crh.1 LSKWKRLEHDKLEQYVGLDVPRGLNEEGSYNYEYTMWEKAQ
|
|
8crh.1.B |
Dihydrofolate reductase
Crystal structure of Candida auris dihydrofolate reductase complexed with NADPH and cycloguanil |
0.68 |
|
27.22 |
0.99 |
1-159 |
X-ray |
1.30 |
homo-dimer |
4 x VIL, 2 x NDP |
HHblits |
0.35 |
target MTLSILVAH-DLQRVIGFENQLPWHLPNDLKHVKKLSTG------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFN 8crh.1 PKISLIVAALQPSMGIGAKGSLPWRLKNEMKYFKDVTSKAKDGHINAVVMGRKTWELIPERFRPLAGRLNVILSRKNDDL
target V--EGVDVIHSIEDIYQL------------PGHVFIFGGQTLFEEMID--KVDDMYITVIEGKF------RGDTFFPPYT 8crh.1 IDSNGVYHFSSFDSVMKHLEKDSFRFKDMPLDKIFIIGGSQIYNLLILDSRVDNLLVTQVHFVGEDADKPQMDTFLD-WD
target FEDWEVASSVEGK----------LDEKNTIPHTFLHLIRKK 8crh.1 LSKWKRLEHDKLEQYVGLDVPRGLNEEGSYNYEYTMWEKAQ
|
|
8a0n.1.A |
Dihydrofolate reductase
Crystal structure of Candida auris dihydrofolate reductase complexed with NADPH |
0.67 |
|
27.22 |
0.99 |
1-159 |
X-ray |
1.40 |
monomer |
1 x NDP |
HHblits |
0.35 |
target MTLSILVAH-DLQRVIGFENQLPWHLPNDLKHVKKLSTG------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFN 8a0n.1 PKISLIVAALQPSMGIGAKGSLPWRLKNEMKYFKDVTSKAKDGHINAVVMGRKTWELIPERFRPLAGRLNVILSRKNDDL
target V--EGVDVIHSIEDIYQL------------PGHVFIFGGQTLFEEMID--KVDDMYITVIEGKF------RGDTFFPPYT 8a0n.1 IDSNGVYHFSSFDSVMKHLEKDSFRFKDMPLDKIFIIGGSQIYNLLILDSRVDNLLVTQVHFVGEDADKPQMDTFLD-WD
target FEDWEVASSVEGK----------LDEKNTIPHTFLHLIRKK 8a0n.1 LSKWKRLEHDKLEQYVGLDVPRGLNEEGSYNYEYTMWEKAQ
|
|
3cl9.2.B |
Bifunctional dihydrofolate reductase-thymidylate synthase (DHFR-TS)
Structure of bifunctional TcDHFR-TS in complex with MTX |
0.66 |
|
31.01 |
0.99 |
1-158 |
X-ray |
3.30 |
homo-dimer |
2 x NAP, 2 x MTX, 2 x UMP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG-------------HTLVMGRKTFESIG---KPLPNRRNVVLT 3cl9.2 RAFSLVVAVDERGGIGDGRSIPWNVPEDMKFFRDVTTKLRGKNVKPSPAKRNAVVMGRKTWDSIPPKFRPLPGRLNVVLS
target SDTSFN---------------VE-GVDVIHSIEDIYQL---------PGHVFIFGGQTLFEEMID-----KVDDMYITVI 3cl9.2 STLTTQHLLDGLPDEEKRNLHADSIVAVNGGLEQALQLLASPNYTPSIETVYCIGGGSVYAEALRPPCVHLLQAIYRTTI
target EGKF-RGDTFFPPYTF-------EDWEVASSVEGKL-DEKNTIPHTFLHLIRKK 3cl9.2 RASESSCSVFFRVPESGTEAAAGIEWQRETISEELTSANGNETKYYFEKLIPR-
|
|
3clb.2.A |
DHFR-TS
Structure of bifunctional TcDHFR-TS in complex with TMQ |
0.65 |
|
31.01 |
0.99 |
1-158 |
X-ray |
3.00 |
homo-dimer |
2 x NAP, 2 x TMQ |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG-------------HTLVMGRKTFESIG---KPLPNRRNVVLT 3clb.2 RAFSLVVAVDERGGIGDGRSIPWNVPEDMKFFRDVTTKLRGKNVKPSPAKRNAVVMGRKTWDSIPPKFRPLPGRLNVVLS
target SDTSFN---------------VE-GVDVIHSIEDIYQL---------PGHVFIFGGQTLFEEMID-----KVDDMYITVI 3clb.2 STLTTQHLLDGLPDEEKRNLHADSIVAVNGGLEQALQLLASPNYTPSIETVYCIGGGSVYAEALRPPCVHLLQAIYRTTI
target EGKF-RGDTFFPPYTF-------EDWEVASSVEGKL-DEKNTIPHTFLHLIRKK 3clb.2 RASESSCSVFFRVPESGTEAAAGIEWQRETISEELTSANGNETKYYFEKLIPR-
|
|
3clb.1.A |
DHFR-TS
Structure of bifunctional TcDHFR-TS in complex with TMQ |
0.68 |
|
31.01 |
0.99 |
1-158 |
X-ray |
3.00 |
homo-dimer |
2 x NAP, 2 x TMQ |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG-------------HTLVMGRKTFESIG---KPLPNRRNVVLT 3clb.1 RAFSLVVAVDERGGIGDGRSIPWNVPEDMKFFRDVTTKLRGKNVKPSPAKRNAVVMGRKTWDSIPPKFRPLPGRLNVVLS
target SDTSFN---------------VE-GVDVIHSIEDIYQL---------PGHVFIFGGQTLFEEMID-----KVDDMYITVI 3clb.1 STLTTQHLLDGLPDEEKRNLHADSIVAVNGGLEQALQLLASPNYTPSIETVYCIGGGSVYAEALRPPCVHLLQAIYRTTI
target EGKF-RGDTFFPPYTF-------EDWEVASSVEGKL-DEKNTIPHTFLHLIRKK 3clb.1 RASESSCSVFFRVPESGTEAAAGIEWQRETISEELTSANGNETKYYFEKLIPR-
|
|
3clb.1.B |
DHFR-TS
Structure of bifunctional TcDHFR-TS in complex with TMQ |
0.67 |
|
31.01 |
0.99 |
1-158 |
X-ray |
3.00 |
homo-dimer |
2 x NAP, 2 x TMQ |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG-------------HTLVMGRKTFESIG---KPLPNRRNVVLT 3clb.1 RAFSLVVAVDERGGIGDGRSIPWNVPEDMKFFRDVTTKLRGKNVKPSPAKRNAVVMGRKTWDSIPPKFRPLPGRLNVVLS
target SDTSFN---------------VE-GVDVIHSIEDIYQL---------PGHVFIFGGQTLFEEMID-----KVDDMYITVI 3clb.1 STLTTQHLLDGLPDEEKRNLHADSIVAVNGGLEQALQLLASPNYTPSIETVYCIGGGSVYAEALRPPCVHLLQAIYRTTI
target EGKF-RGDTFFPPYTF-------EDWEVASSVEGKL-DEKNTIPHTFLHLIRKK 3clb.1 RASESSCSVFFRVPESGTEAAAGIEWQRETISEELTSANGNETKYYFEKLIPR-
|
|
2h2q.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Crystal structure of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate synthase |
0.63 |
|
31.01 |
0.99 |
1-158 |
X-ray |
2.40 |
homo-dimer |
2 x NAP, 2 x DU |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG-------------HTLVMGRKTFESIG---KPLPNRRNVVLT 2h2q.1 RAFSLVVAVDERGGIGDGRSIPWNVPEDMKFFRDVTTKLRGKNVKPSPAKRNAVVMGRKTWDSIPPKFRPLPGRLNVVLS
target SDTSFN---------------VE-GVDVIHSIEDIYQL---------PGHVFIFGGQTLFEEMID-----KVDDMYITVI 2h2q.1 STLTTQHLLDGLPDEEKRNLHADSIVAVNGGLEQALQLLASPNYTPSIETVYCIGGGSVYAEALRPPCVHLLQAIYRTTI
target EGKF-RGDTFFPPYTF-------EDWEVASSVEGKL-DEKNTIPHTFLHLIRKK 2h2q.1 RASESSCSVFFRVPESGTEAAAGIEWQRETISEELTSANGNETKYYFEKLIPR-
|
|
4h95.1.A |
Dihydrofolate Reductase
Candida albicans dihydrofolate reductase complexed with NADPH and 6-ethyl-5-{3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine (UCP1006) |
0.66 |
|
30.77 |
0.98 |
2-158 |
X-ray |
2.60 |
monomer |
1 x NDP, 1 x 06U |
HHblits |
0.36 |
target MTLSILV-AHDLQRVIGFENQLPWHLPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSF 4h95.1 -NVAIIVAALKPALGIGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWESIPQKFRPLPDRLNIILSRSYEN
target N--VEGVDVIHSIEDIYQL---PGHVFIFGGQTLFEEMID--KVDDMYITVIEGK----FRGDTFFPPYTFEDWEVASSV 4h95.1 EIIDDNIIHASSIESSLNLVSDVERVFIIGGAEIYNELINNSLVSHLLITEIEHPSPESIEMDTFLKF-PLESWTKQPKS
target EGK----------LDEKNTIPHTFLHLIRKK 4h95.1 ELQKFVGDTVLEDDIKEGDFTYNYTLWTRK-
|
|
7k6c.1.A |
Dihydrofolate reductase
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium abscessus ATCC 19977 / DSM 44196 with NADP and inhibitor P218 |
0.76 |
|
28.85 |
0.98 |
1-159 |
X-ray |
2.00 |
monomer |
1 x NAP, 1 x MMV, 1 x CA |
HHblits |
0.36 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 7k6c.1 GTIGLIWAQTRAGVIGADGAIPWRLPEDQARFKRITMGHTVIMGRKTWESLPGSVRPLPGRPNIVLTRDALFEPDGALAV
target HSIEDIYQL-PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLI 7k6c.1 GSADAALAASDEAPWVIGGGEIYRLFLPLAQRCEVTVVEADVPGDALAPELGE-GWVVETNDW--QTSESGLRYQFLSYR
target RKK 7k6c.1 KVD
|
|
3hj3.1.A |
Chain A, crystal structure of Dhfr
Crystal Structure of the ChTS-DHFR F207A Non-Active Site Mutant |
0.70 |
|
32.26 |
0.97 |
1-158 |
X-ray |
2.70 |
homo-dimer |
2 x UMP, 2 x CB3, 2 x MTX, 2 x NDP |
HHblits |
0.36 |
target MTLSILVAHD-LQRVIGFENQLPWHLPNDLKHVKKLSTG-------HTLVMGRKTFESIG-KPLPNRRNVVLTSDTSFN- 3hj3.1 KNVSIVVAASVLSSGIGINGQLPWSISEDLKFFSKITNNKCDSNKKNALIMGRKTWDSIGRRPLKNRIIVVISSSLPQDE
target -VEGVDVIHSIEDIYQL------PGHVFIFGGQTLFEEMID--KVDDMYITVIEG-KFRGDTFFPPYTFEDWEVASSVEG 3hj3.1 ADPNVVVFRNLEDSIENLMNDDSIENIFVCGGESIYRDALKDNFVDRIYLTRVALEDIEFDTYFPEIPETFLPVYMSQTF
target KLDEKNTIPHTFLHLIRKK 3hj3.1 ---CTKNISYDFMIFEKQ-
|
|
2oip.1.A |
Chain A, crystal structure of Dhfr
Crystal Structure of the S290G Active Site Mutant of TS-DHFR from Cryptosporidium hominis |
0.70 |
|
32.26 |
0.97 |
1-158 |
X-ray |
2.80 |
homo-dimer |
2 x UMP, 2 x CB3, 2 x MTX, 2 x NDP |
HHblits |
0.36 |
target MTLSILVAH-DLQRVIGFENQLPWHLPNDLKHVKKLSTG-------HTLVMGRKTFESIG-KPLPNRRNVVLTSDTSFN- 2oip.1 KNVSIVVAASVLSSGIGINGQLPWSISEDLKFFSKITNNKCDSNKKNALIMGRKTWDSIGRRPLKNRIIVVISSSLPQDE
target -VEGVDVIHSIEDIYQL------PGHVFIFGGQTLFEEMID--KVDDMYITVIEG-KFRGDTFFPPYTFEDWEVASSVEG 2oip.1 ADPNVVVFRNLEDSIENLMNDDSIENIFVCGGESIYRDALKDNFVDRIYLTRVALEDIEFDTYFPEIPETFLPVYMSQTF
target KLDEKNTIPHTFLHLIRKK 2oip.1 ---CTKNISYDFMIFEKQ-
|
|
1qzf.2.A |
bifunctional dihydrofolate reductase-thymidylate synthase
Crystal structure of DHFR-TS from Cryptosporidium hominis |
0.72 |
|
30.97 |
0.97 |
1-158 |
X-ray |
2.80 |
homo-dimer |
2 x UMP, 2 x CB3, 2 x FOL, 2 x NDP |
HHblits |
0.36 |
target MTLSILVAHD-LQRVIGFENQLPWHLPNDLKHVKKLSTG-------HTLVMGRKTFESIG-KPLPNRRNVVLTSDTSFN- 1qzf.2 KNVSIVVAASVLSSGIGINGQLPWSISEDLKFFSKITNNKCDSNKKNALIMGRKTWDSIGRRPLKNRIIVVISSSLPQDE
target -VEGVDVIHSIEDIYQL------PGHVFIFGGQTLFEEMID--KVDDMYITVIEG-KFRGDTFFPPYTFEDWEVASSVEG 1qzf.2 ADPNVVVFRNLEDSIENLMNDDSIENIFVCGGESIYRDALKDNFVDRIYLTRVALEDIEFDTYFPEIPET-FLPVYMSQT
target KLDEKNTIPHTFLHLIRKK 1qzf.2 F--CTKNISYDFMIFEKQ-
|
|
6wep.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Crystal structure of TS-DHFR from Cryptosporidium hominis with Apo-TS site |
0.71 |
|
30.97 |
0.97 |
1-158 |
X-ray |
2.79 |
homo-dimer |
2 x NDP, 2 x MTX |
HHblits |
0.36 |
target MTLSILVAHD-LQRVIGFENQLPWHLPNDLKHVKKLSTG-------HTLVMGRKTFESIG-KPLPNRRNVVLTSDTSFN- 6wep.1 KNVSIVVAASVLSSGIGINGQLPWSISEDLKFFSKITNNKCDSNKKNALIMGRKTWDSIGRRPLKNRIIVVISSSLPQDE
target -VEGVDVIHSIEDIYQL------PGHVFIFGGQTLFEEMID--KVDDMYITVIEG-KFRGDTFFPPYTFEDWEVASSVEG 6wep.1 ADPNVVVFRNLEDSIENLMNDDSIENIFVCGGESIYRDALKDNFVDRIYLTRVALEDIEFDTYFPEIPET-FLPVYMSQT
target KLDEKNTIPHTFLHLIRKK 6wep.1 F--CTKNISYDFMIFEKQ-
|
|
3dl5.1.A |
Dihydrofolate reductase, DHFR
Crystal Structure of the A287F Active Site Mutant of TS-DHFR from Cryptosporidium hominis |
0.71 |
|
30.97 |
0.97 |
1-158 |
X-ray |
2.74 |
homo-dimer |
2 x UMP, 2 x CB3, 2 x DHF, 2 x NDP |
HHblits |
0.36 |
target MTLSILVAHD-LQRVIGFENQLPWHLPNDLKHVKKLSTG-------HTLVMGRKTFESIG-KPLPNRRNVVLTSDTSFN- 3dl5.1 KNVSIVVAASVLSSGIGINGQLPWSISEDLKFFSKITNNKCDSNKKNALIMGRKTWDSIGRRPLKNRIIVVISSSLPQDE
target -VEGVDVIHSIEDIYQL------PGHVFIFGGQTLFEEMID--KVDDMYITVIEG-KFRGDTFFPPYTFEDWEVASSVEG 3dl5.1 ADPNVVVFRNLEDSIENLMNDDSIENIFVCGGESIYRDALKDNFVDRIYLTRVALEDIEFDTYFPEIPET-FLPVYMSQT
target KLDEKNTIPHTFLHLIRKK 3dl5.1 F--CTKNISYDFMIFEKQ-
|
|
3dl6.1.A |
Dihydrofolate reductase, DHFR
Crystal Structure of the A287F/S290G Active Site Mutant of TS-DHFR from Cryptosporidium hominis |
0.71 |
|
30.97 |
0.97 |
1-158 |
X-ray |
3.25 |
homo-dimer |
2 x UMP, 2 x CB3, 2 x DHF, 2 x NDP |
HHblits |
0.36 |
target MTLSILVAHD-LQRVIGFENQLPWHLPNDLKHVKKLSTG-------HTLVMGRKTFESIG-KPLPNRRNVVLTSDTSFN- 3dl6.1 KNVSIVVAASVLSSGIGINGQLPWSISEDLKFFSKITNNKCDSNKKNALIMGRKTWDSIGRRPLKNRIIVVISSSLPQDE
target -VEGVDVIHSIEDIYQL------PGHVFIFGGQTLFEEMID--KVDDMYITVIEG-KFRGDTFFPPYTFEDWEVASSVEG 3dl6.1 ADPNVVVFRNLEDSIENLMNDDSIENIFVCGGESIYRDALKDNFVDRIYLTRVALEDIEFDTYFPEIPET-FLPVYMSQT
target KLDEKNTIPHTFLHLIRKK 3dl6.1 F--CTKNISYDFMIFEKQ-
|
|
3ro9.1.A |
Strain CBS138 chromosome J complete sequence
Candida glabrata dihydrofolate reductase complexed with NADPH and 6-ethyl-5-[(3R)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP1006) |
0.64 |
|
26.58 |
0.99 |
1-158 |
X-ray |
2.60 |
monomer |
1 x NDP, 1 x 06U |
HHblits |
0.34 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLST-------GHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFN 3ro9.1 PVVGIVAALLPEMGIGFQGNLPWRLAKEMKYFREVTTLTNDNSKQNVVIMGRKTWESIPQKFRPLPKRINVVVSRSFDGE
target V----EGVDVIHSIEDIYQL----------PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKF-----RGDTFFPPYTF-- 3ro9.1 LRKVEDGIYHSNSLRNCLTALQSSLANENKIERIYIIGGGEIYRQSMDLADHWLITKIMPLPETTIPQMDTFLQKQELEQ
target --------------EDWEVASSVE----------GKLDEKNTIPHTFLHLIRKK 3ro9.1 RFYDNSDKLVDFLPSSIQLEGRLTSQEWNGELVKGLPVQEKGYQFYFTLYTKK-
|
|
3qfx.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Trypanosoma brucei dihydrofolate reductase pyrimethamine complex |
0.65 |
|
26.42 |
1.00 |
1-159 |
X-ray |
2.20 |
monomer |
1 x NDP, 1 x CP6 |
HHblits |
0.34 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG-------------HTLVMGRKTFESIG---KPLPNRRNVVLT 3qfx.1 RPFSVVVASDEKGGIGDGGTIPWEIPEDMQYFRRVTTNLRGKNVKPSPSKRNAVVMGRKTWDSLPPKFRPLSNRLNVVLS
target SDTSFNV----------------EGVDVIHSIEDIYQL---------PGHVFIFGGQTLFEEMID-----KVDDMYITVI 3qfx.1 RSATKEQLLAGIPDPIKRAEAANDVVAVNGGLEDALRMLVSKEHTSSIETVFCIGGGTIYKQALCAPCVNVLQAIHRTVV
target EGK-FRGDTFFPPYTFED-----WEVASSVE---GKLDEKNTIPHTFLHLIRKK 3qfx.1 RPASNSCSVFFDIPAAGTKTPEGLELVRESITDERVSTGAGGKKYQFEKLVPRN
|
|
3rg9.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Trypanosoma brucei dihydrofolate reductase (TbDHFR) in complex with WR99210 |
0.65 |
|
26.42 |
1.00 |
1-159 |
X-ray |
2.00 |
monomer |
1 x NDP, 1 x WRA |
HHblits |
0.34 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG-------------HTLVMGRKTFESIG---KPLPNRRNVVLT 3rg9.1 RPFSVVVASDEKGGIGDGGTIPWEIPEDMQYFRRVTTNLRGKNVKPSPSKRNAVVMGRKTWDSLPPKFRPLSNRLNVVLS
target SDTSFNV----------------EGVDVIHSIEDIYQL---------PGHVFIFGGQTLFEEMID-----KVDDMYITVI 3rg9.1 RSATKEQLLAGIPDPIKRAEAANDVVAVNGGLEDALRMLVSKEHTSSIETVFCIGGGTIYKQALCAPCVNVLQAIHRTVV
target EGK-FRGDTFFPPYTFED-----WEVASSVE---GKLDEKNTIPHTFLHLIRKK 3rg9.1 RPASNSCSVFFDIPAAGTKTPEGLELVRESITDERVSTGAGGKKYQFEKLVPRN
|
|
4h98.1.A |
Dihydrofolate Reductase
Candida glabrata dihydrofolate reductase complexed with NADPH and 5-{3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyphenyl]prop-1-yn-1-yl}-6-ethylpyrimidine-2,4-diamine (UCP1018) |
0.64 |
|
26.58 |
0.99 |
1-158 |
X-ray |
2.90 |
monomer |
1 x NDP, 1 x 14Q |
HHblits |
0.34 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLST-------GHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFN 4h98.1 PVVGIVAALLPEMGIGFQGNLPWRLAKEMKYFREVTTLTNDNSKQNVVIMGRKTWESIPQKFRPLPKRINVVVSRSFDGE
target V----EGVDVIHSIEDIYQ----------LPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKF-----RGDTFFPPYTF-- 4h98.1 LRKVEDGIYHSNSLRNCLTALQSSLANENKIERIYIIGGGEIYRQSMDLADHWLITKIMPLPETTIPQMDTFLQKQELEQ
target --------------EDWEVASSVE----------GKLDEKNTIPHTFLHLIRKK 4h98.1 RFYDNSDKLVDFLPSSIQLEGRLTSQEWNGELVKGLPVQEKGYQFYFTLYTKK-
|
|
3qlx.2.A |
Dihydrofolate reductase
Candida glabrata dihydrofolate reductase complexed with NADPH and 6-methyl-5-[(3R)-3-(3,4,5-trimethoxyphenyl)pent-1-yn-1-yl]pyrimidine-2,4-diamine (UCP112A) |
0.64 |
|
26.58 |
0.99 |
1-158 |
X-ray |
2.24 |
monomer |
1 x NDP, 1 x QLR |
HHblits |
0.34 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLST-------GHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFN 3qlx.2 PVVGIVAALLPEMGIGFQGNLPWRLAKEMKYFREVTTLTNDNSKQNVVIMGRKTWESIPQKFRPLPKRINVVVSRSFDGE
target V----EGVDVIHSIEDIYQ----------LPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKF-----RGDTFFPPYTF-- 3qlx.2 LRKVEDGIYHSNSLRNCLTALQSSLANENKIERIYIIGGGEIYRQSMDLADHWLITKIMPLPETTIPQMDTFLQKQELEQ
target --------------EDWEVASSVE----------GKLDEKNTIPHTFLHLIRKK 3qlx.2 RFYDNSDKLVDFLPSSIQLEGRLTSQEWNGELVKGLPVQEKGYQFYFTLYTKK-
|
|
2bla.1.A |
DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE
SP21 double mutant P. vivax Dihydrofolate reductase in complex with pyrimethamine |
0.67 |
|
32.90 |
0.97 |
2-158 |
X-ray |
2.50 |
monomer |
1 x NDP, 1 x CP6, 1 x MES |
HHblits |
0.36 |
target MTLSILVAHDLQRVIGFENQLPWHL-PNDLKHVKKLST------------------------------------------ 2bla.1 -TKNEPFSPRTFRGLGNKGTLPWKCNSVDMKYFRSVTTYVDESKYEKLKWKRERYLRMEASQGGGDNTSGGDNTHGGDNA
target ---GHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFN--VEGVDVIHSIEDIYQL-----PGHVFIFGGQTLFEEMID 2bla.1 DKLQNVVVMGRSNWESIPKQYKPLPNRINVVLSKTLTKEDVKEKVFIIDSIDDLLLLLKKLKYYKCFIIGGAQVYRECLS
target --KVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 2bla.1 RNLIKQIYFTRINGAYPCDVFFPEFDESEFRVTSVSEVY--NSKGTTLDFLVYSKV-
|
|
2blc.1.A |
DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE
SP21 double mutant P. vivax Dihydrofolate reductase in complex with des-chloropyrimethamine |
0.68 |
|
32.90 |
0.97 |
2-158 |
X-ray |
2.25 |
monomer |
1 x NDP, 1 x CP7, 1 x MES |
HHblits |
0.36 |
target MTLSILVAHDLQRVIGFENQLPWHL-PNDLKHVKKLST------------------------------------------ 2blc.1 -TKNEPFSPRTFRGLGNKGTLPWKCNSVDMKYFRSVTTYVDESKYEKLKWKRERYLRMEASQGGGDNTSGGDNTHGGDNA
target ---GHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFN--VEGVDVIHSIEDIYQL-----PGHVFIFGGQTLFEEMID 2blc.1 DKLQNVVVMGRSNWESIPKQYKPLPNRINVVLSKTLTKEDVKEKVFIIDSIDDLLLLLKKLKYYKCFIIGGAQVYRECLS
target --KVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 2blc.1 RNLIKQIYFTRINGAYPCDVFFPEFDESEFRVTSVSEVY--NSKGTTLDFLVYSKV-
|
|
6uww.1.A |
Dihydrofolate reductase
Crystal structure of dihydrofolate reductase from Mycobacterium ulcerans with P218 inhibitor |
0.74 |
|
28.39 |
0.97 |
1-158 |
X-ray |
0.92 |
monomer |
1 x MMV, 1 x NAP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 6uww.1 TSVGLIWAQSTSGVIGRDGGIPWRLPEDLAHFKRLTMGHTVVMGRRTWDSLPAAHRPLPGRRNVVVTRQTGLVAHGAQVV
target HSIEDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFR---GDTFFPPYTFEDWEVASSVEGKLDEKNTIPHT 6uww.1 GSLEQALSPAEPDAETWVIGGAQIYALALPLANRCEVTEVDVDLPPEDEDALAPVLDQ-TWAGTSGEWLV--SRSGLRYR
target FLHLIRKK 6uww.1 MHSYRRL-
|
|
7km7.1.A |
Dihydrofolate reductase
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001914, tetragonal crystal from |
0.74 |
|
28.39 |
0.97 |
1-158 |
X-ray |
1.80 |
monomer |
1 x NAP, 1 x WPD, 1 x BR |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 7km7.1 TSVGLIWAQSTSGVIGRDGGIPWRLPEDLAHFKRLTMGHTVVMGRRTWDSLPAAHRPLPGRRNVVVTRQTGLVAHGAQVV
target HSIEDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFR---GDTFFPPYTFEDWEVASSVEGKLDEKNTIPHT 7km7.1 GSLEQALSPAEPDAETWVIGGAQIYALALPLANRCEVTEVDVDLPPEDEDALAPVLDQ-TWAGTSGEWLV--SRSGLRYR
target FLHLIRKK 7km7.1 MHSYRRL-
|
|
3dg8.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with RJF670, NADPH, and dUMP |
0.68 |
0.00 |
28.21 |
0.98 |
2-159 |
X-ray |
2.58 |
monomer |
1 x RJ6, 1 x NDP, 1 x UMP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLST-----------------------------------GHTLVMG 3dg8.1 -KKNEVFNNYTFRGLGNKGVLPWKCISLDMKYFRAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMG
target RKTFESIG---KPLPNRRNVVLTSDTSFNV--EGVDVIHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYIT 3dg8.1 RTNWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFILGGSVVYQEFLEKKLIKKIYFT
target VIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 3dg8.1 RINSTYECDVFFPEINENEYQIISVSDVY--TSNNTTLDFIIYKKTN
|
|
3dg8.2.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with RJF670, NADPH, and dUMP |
0.68 |
0.00 |
28.21 |
0.98 |
2-159 |
X-ray |
2.58 |
monomer |
1 x RJ6, 1 x NDP, 1 x UMP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLST-----------------------------------GHTLVMG 3dg8.2 -KKNEVFNNYTFRGLGNKGVLPWKCISLDMKYFRAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMG
target RKTFESIG---KPLPNRRNVVLTSDTSFNV--EGVDVIHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYIT 3dg8.2 RTNWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFILGGSVVYQEFLEKKLIKKIYFT
target VIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 3dg8.2 RINSTYECDVFFPEINENEYQIISVSDVY--TSNNTTLDFIIYKKTN
|
|
1j3k.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with WR99210, NADPH, and dUMP |
0.69 |
0.00 |
28.21 |
0.98 |
2-159 |
X-ray |
2.10 |
monomer |
2 x WRA, 2 x NDP, 2 x UMP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLST-----------------------------------GHTLVMG 1j3k.1 -KKNEVFNNYTFRGLGNKGVLPWKCISLDMKYFRAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMG
target RKTFESIG---KPLPNRRNVVLTSDTSFNV--EGVDVIHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYIT 1j3k.1 RTNWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFILGGSVVYQEFLEKKLIKKIYFT
target VIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 1j3k.1 RINSTYECDVFFPEINENEYQIISVSDVY--TSNNTTLDFIIYKKTN
|
|
1j3k.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with WR99210, NADPH, and dUMP |
0.69 |
0.00 |
28.21 |
0.98 |
2-159 |
X-ray |
2.10 |
monomer |
2 x WRA, 2 x NDP, 2 x UMP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLST-----------------------------------GHTLVMG 1j3k.1 -KKNEVFNNYTFRGLGNKGVLPWKCISLDMKYFRAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMG
target RKTFESIG---KPLPNRRNVVLTSDTSFNV--EGVDVIHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYIT 1j3k.1 RTNWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFILGGSVVYQEFLEKKLIKKIYFT
target VIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 1j3k.1 RINSTYECDVFFPEINENEYQIISVSDVY--TSNNTTLDFIIYKKTN
|
|
1dr1.2.B |
DIHYDROFOLATE REDUCTASE
2.2 ANGSTROMS CRYSTAL STRUCTURE OF CHICKEN LIVER DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADP+ AND BIOPTERIN |
0.63 |
|
31.79 |
0.95 |
2-152 |
X-ray |
2.20 |
homo-dimer |
2 x CA, 2 x NAP, 2 x HBI |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKL-STGH------TLVMGRKTFESI---GKPLPNRRNVVLTSDTSF 1dr1.2 -SLNSIVAVCQNMGIGKDGNLPWPPLRNEYKYFQRMTSTSHVEGKQNAVIMGKKTWFSIPEKNRPLKDRINIVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVDD--MYITVIEGKFRGDTFFPPYTFEDWEVASS 1dr1.2 APKGAHYLSKSLDDALALLDSPELKSKVDMVWIVGGTAVYKAAMEKPINHRLFVTRILHEFESDTFFPEIDYKDFKLLTE
target VEG---KLDEKNTIPHTFLHLIRKK 1dr1.2 YPGVPADIQEEDGIQYKF-------
|
|
8ta1.1.A |
Dihydrofolate reductase
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM907 |
0.73 |
|
28.39 |
0.97 |
1-158 |
X-ray |
1.50 |
monomer |
|
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 8ta1.1 TSVGLIWAQSTSGVIGRDGGIPWRLPEDLAHFKRLTMGHTVVMGRRTWDSLPAAHRPLPGRRNVVVTRQTGLVAHGAQVV
target HSIEDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFR---GDTFFPPYTFEDWEVASSVEGKLDEKNTIPHT 8ta1.1 GSLEQALSPAEPDAATWVIGGAQIYALALPLANRCEVTEVDVDLPPEDEDALAPVLDQ-TWAGTSGEWL--VSRSGLRYR
target FLHLIRKK 8ta1.1 MHSYRRL-
|
|
7km9.1.A |
Dihydrofolate reductase
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001913, tetragonal crystal from |
0.73 |
|
28.39 |
0.97 |
1-158 |
X-ray |
1.95 |
monomer |
1 x NAP, 1 x WPJ, 1 x BR |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 7km9.1 TSVGLIWAQSTSGVIGRDGGIPWRLPEDLAHFKRLTMGHTVVMGRRTWDSLPAAHRPLPGRRNVVVTRQTGLVAHGAQVV
target HSIEDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFR---GDTFFPPYTFEDWEVASSVEGKLDEKNTIPHT 7km9.1 GSLEQALSPAEPDAATWVIGGAQIYALALPLANRCEVTEVDVDLPPEDEDALAPVLDQ-TWAGTSGEWL--VSRSGLRYR
target FLHLIRKK 7km9.1 MHSYRRL-
|
|
6uwq.1.A |
Dihydrofolate reductase
Crystal structure of dihydrofolate reductase from Mycobacterium ulcerans with SDDC-0001565 inhibitor |
0.71 |
|
28.39 |
0.97 |
1-158 |
X-ray |
1.50 |
monomer |
1 x NAP, 1 x QKJ |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 6uwq.1 TSVGLIWAQSTSGVIGRDGGIPWRLPEDLAHFKRLTMGHTVVMGRRTWDSLPAAHRPLPGRRNVVVTRQTGLVAHGAQVV
target HSIEDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFR---GDTFFPPYTFEDWEVASSVEGKLDEKNTIPHT 6uwq.1 GSLEQALSPAEPDAATWVIGGAQIYALALPLANRCEVTEVDVDLPPEDEDALAPVLDQ-TWAGTSGEWL--VSRSGLRYR
target FLHLIRKK 6uwq.1 MHSYRRL-
|
|
3vco.1.A |
Dihydrofolate reductase
Schistosoma mansoni Dihydrofolate reductase |
0.64 |
|
30.38 |
0.99 |
1-158 |
X-ray |
1.95 |
monomer |
|
HHblits |
0.34 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNV 3vco.1 MRLNVVVAVSENWGIGKGGGLPWKIKKDMEFFKTVTTKAHPGLKNAVVMGRVTWESIPESFKPLKDRINIVVSSTLSHAP
target EGVDVIHSIEDIYQL---------PGHVFIFGGQTLFEEMID---KVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVE 3vco.1 SFVQVVPSLNAAIDLLYNEEFSSIVDEVFIIGGYRLYKEALKQSIYPVRIYCTHILSEVDCDTYFPKVDWDKLKKVDLPD
target GKL--DEKNTIPHTFLHLIRKK 3vco.1 IPADTFTENGFTFKFCVYDVP-
|
|
1j3j.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Double mutant (C59R+S108N) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with pyrimethamine, NADPH, and dUMP |
0.68 |
0.00 |
28.21 |
0.98 |
2-159 |
X-ray |
2.30 |
monomer |
2 x CP6, 2 x NDP, 2 x UMP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHL-PNDLKHVKKLST-----------------------------------GHTLVMG 1j3j.1 -KKNEVFNNYTFRGLGNKGVLPWKCNSLDMKYFRAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMG
target RKTFESIG---KPLPNRRNVVLTSDTSFN--VEGVDVIHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYIT 1j3j.1 RTNWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFT
target VIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 1j3j.1 RINSTYECDVFFPEINENEYQIISVSDVY--TSNNTTLDFIIYKKTN
|
|
1j3j.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Double mutant (C59R+S108N) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with pyrimethamine, NADPH, and dUMP |
0.68 |
0.00 |
28.21 |
0.98 |
2-159 |
X-ray |
2.30 |
monomer |
2 x CP6, 2 x NDP, 2 x UMP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHL-PNDLKHVKKLST-----------------------------------GHTLVMG 1j3j.1 -KKNEVFNNYTFRGLGNKGVLPWKCNSLDMKYFRAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMG
target RKTFESIG---KPLPNRRNVVLTSDTSFN--VEGVDVIHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYIT 1j3j.1 RTNWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFT
target VIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 1j3j.1 RINSTYECDVFFPEINENEYQIISVSDVY--TSNNTTLDFIIYKKTN
|
|
6drs.1.A |
Dihydrofolate reductase, putative
Dihydrofolate Reductase (DHFR) of Aspergillus flavus in complex with a small molecule inhibitor |
0.67 |
|
26.58 |
0.99 |
1-158 |
X-ray |
2.00 |
monomer |
1 x H8A, 1 x NAP |
HHblits |
0.34 |
target MTLSILVAHDL-------QRVIGFENQLPW-HLPNDLKHVKKLSTG-------HTLVMGRKTFESIG---KPLPNRRNVV 6drs.1 NPLTLIVATTPIPTREKTLLGIGLNGTLPWPRIKADMSFFARVTTRPPRPGTTNAMIMGRKTYDSVPKSLRPLGKRINVI
target LTSDTSFNV---------------------------------EGVDVIHSIEDIYQL--------PGHVFIFGGQTLFEE 6drs.1 VTRDVEGVSKRVAEELKEKRAKMAAAAAAATSAGENKEEGPITDAIVSSGLEAALEDVEEKFKGGLGSVFVIGGAEIYAT
target MIDK----VDDMYITVIEG--------KFRGDTFFPPYTF----EDWEVASSVEG----------KLDEKNTIPHTFLHL 6drs.1 ALGLGGDRPVRIVMTNVEKKGVDGEKAVFECDTFFPIDEELLMEKGWRKVSAEEVTEWVGEPVSGEWKDEGEVRIQMVGY
target IRKK 6drs.1 ERV-
|
|
7k68.1.A |
Dihydrofolate reductase
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001565 |
0.73 |
|
28.39 |
0.97 |
1-158 |
X-ray |
1.45 |
monomer |
1 x NAP, 1 x QKJ |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 7k68.1 TSVGLIWAQSTSGVIGRDGGIPWRLPEDLAHFKRLTMGHTVVMGRRTWDSLPAAHRPLPGRRNVVVTRQTGLVAHGAQVV
target HSIEDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFR---GDTFFPPYTFEDWEVASSVEGKLDEKNTIPHT 7k68.1 GSLEQALCPAEPDAATWVIGGAQIYALALPLANRCEVTEVDVDLPPEDEDALAPVLDQ-TWAGTSGEWL--VSRSGLRYR
target FLHLIRKK 7k68.1 MHSYRRL-
|
|
3dga.2.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with RJF01302, NADPH, and dUMP |
0.69 |
0.00 |
28.21 |
0.98 |
2-159 |
X-ray |
2.70 |
monomer |
1 x RJ1, 1 x NDP, 1 x UMP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHL-PNDLKHVKKLST-----------------------------------GHTLVMG 3dga.2 -KKNEVFNNYTFRGLGNKGVLPWKCNSLDMKYFCAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMG
target RKTFESIG---KPLPNRRNVVLTSDTSFN--VEGVDVIHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYIT 3dga.2 RTSWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFT
target VIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 3dga.2 RINSTYECDVFFPEINENEYQIISVSDVY--TSNNTTLDFIIYKKTN
|
|
3dga.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with RJF01302, NADPH, and dUMP |
0.68 |
0.00 |
28.21 |
0.98 |
2-159 |
X-ray |
2.70 |
monomer |
1 x RJ1, 1 x NDP, 1 x UMP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHL-PNDLKHVKKLST-----------------------------------GHTLVMG 3dga.1 -KKNEVFNNYTFRGLGNKGVLPWKCNSLDMKYFCAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMG
target RKTFESIG---KPLPNRRNVVLTSDTSFN--VEGVDVIHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYIT 3dga.1 RTSWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFT
target VIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 3dga.1 RINSTYECDVFFPEINENEYQIISVSDVY--TSNNTTLDFIIYKKTN
|
|
1j3i.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with WR99210, NADPH, and dUMP |
0.68 |
|
28.21 |
0.98 |
2-159 |
X-ray |
2.33 |
hetero-2-2-mer |
2 x WRA, 2 x NDP, 2 x UMP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHL-PNDLKHVKKLST-----------------------------------GHTLVMG 1j3i.1 -KKNEVFNNYTFRGLGNKGVLPWKCNSLDMKYFCAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMG
target RKTFESIG---KPLPNRRNVVLTSDTSFN--VEGVDVIHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYIT 1j3i.1 RTSWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFT
target VIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 1j3i.1 RINSTYECDVFFPEINENEYQIISVSDVY--TSNNTTLDFIIYKKTN
|
|
1j3i.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with WR99210, NADPH, and dUMP |
0.69 |
|
28.21 |
0.98 |
2-159 |
X-ray |
2.33 |
hetero-2-2-mer |
2 x WRA, 2 x NDP, 2 x UMP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHL-PNDLKHVKKLST-----------------------------------GHTLVMG 1j3i.1 -KKNEVFNNYTFRGLGNKGVLPWKCNSLDMKYFCAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMG
target RKTFESIG---KPLPNRRNVVLTSDTSFN--VEGVDVIHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYIT 1j3i.1 RTSWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFT
target VIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 1j3i.1 RINSTYECDVFFPEINENEYQIISVSDVY--TSNNTTLDFIIYKKTN
|
|
8wgm.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Quadruple mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS V1/S, N51I+C59R+S108N+I164L) complexed with LA1, NADPH and dUMP |
0.69 |
|
28.39 |
0.97 |
2-158 |
X-ray |
2.15 |
homo-dimer |
|
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLST-----------------------------------GHTLVMG 8wgm.1 -AANEVFNNYTFRGLGNKGVLPWKCISLDMKYFRAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMG
target RKTFESIG---KPLPNRRNVVLTSDTSFNV--EGVDVIHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYIT 8wgm.1 RTNWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFILGGSVVYQEFLEKKLIKKIYFT
target VIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 8wgm.1 RINSTYECDVFFPEINENEYQIISVSDVY--TSNNTTLDFIIYKKT-
|
|
8wgm.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Quadruple mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS V1/S, N51I+C59R+S108N+I164L) complexed with LA1, NADPH and dUMP |
0.68 |
|
28.39 |
0.97 |
2-158 |
X-ray |
2.15 |
homo-dimer |
|
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLST-----------------------------------GHTLVMG 8wgm.1 -AANEVFNNYTFRGLGNKGVLPWKCISLDMKYFRAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMG
target RKTFESIG---KPLPNRRNVVLTSDTSFNV--EGVDVIHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYIT 8wgm.1 RTNWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFILGGSVVYQEFLEKKLIKKIYFT
target VIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 8wgm.1 RINSTYECDVFFPEINENEYQIISVSDVY--TSNNTTLDFIIYKKT-
|
|
8jfb.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
V1/S quadruple mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 4 (B21588), NADPH and dUMP |
0.68 |
|
28.39 |
0.97 |
2-158 |
X-ray |
2.65 |
homo-dimer |
2 x U86, 2 x NDP, 2 x UMP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLST-----------------------------------GHTLVMG 8jfb.1 -KKNEVFNNYTFRGLGNKGVLPWKCISLDMKYFRAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMG
target RKTFESIG---KPLPNRRNVVLTSDTSFNV--EGVDVIHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYIT 8jfb.1 RTNWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFILGGSVVYQEFLEKKLIKKIYFT
target VIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 8jfb.1 RINSTYECDVFFPEINENEYQIISVSDVY--TSNNTTLDFIIYKKT-
|
|
8jfd.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
V1/S quadruple mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 8 (B21594), NADPH and dUMP |
0.68 |
|
28.39 |
0.97 |
2-158 |
X-ray |
2.30 |
homo-dimer |
2 x NDP, 2 x UMP, 2 x U8Y |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLST-----------------------------------GHTLVMG 8jfd.1 -KKNEVFNNYTFRGLGNKGVLPWKCISLDMKYFRAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMG
target RKTFESIG---KPLPNRRNVVLTSDTSFNV--EGVDVIHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYIT 8jfd.1 RTNWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFILGGSVVYQEFLEKKLIKKIYFT
target VIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 8jfd.1 RINSTYECDVFFPEINENEYQIISVSDVY--TSNNTTLDFIIYKKT-
|
|
8jfb.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
V1/S quadruple mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 4 (B21588), NADPH and dUMP |
0.68 |
|
28.39 |
0.97 |
2-158 |
X-ray |
2.65 |
homo-dimer |
2 x U86, 2 x NDP, 2 x UMP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLST-----------------------------------GHTLVMG 8jfb.1 -KKNEVFNNYTFRGLGNKGVLPWKCISLDMKYFRAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMG
target RKTFESIG---KPLPNRRNVVLTSDTSFNV--EGVDVIHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYIT 8jfb.1 RTNWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFILGGSVVYQEFLEKKLIKKIYFT
target VIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 8jfb.1 RINSTYECDVFFPEINENEYQIISVSDVY--TSNNTTLDFIIYKKT-
|
|
3qg2.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Plasmodium falciparum DHFR-TS qradruple mutant (N51I+C59R+S108N+I164L, V1/S) pyrimethamine complex |
0.69 |
|
28.39 |
0.97 |
2-158 |
X-ray |
2.30 |
homo-dimer |
2 x CP6, 2 x NDP, 2 x UMP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLST-----------------------------------GHTLVMG 3qg2.1 -KKNEVFNNYTFRGLGNKGVLPWKCISLDMKYFRAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMG
target RKTFESIG---KPLPNRRNVVLTSDTSFNV--EGVDVIHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYIT 3qg2.1 RTNWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFILGGSVVYQEFLEKKLIKKIYFT
target VIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 3qg2.1 RINSTYECDVFFPEINENEYQIISVSDVY--TSNNTTLDFIIYKKT-
|
|
3qg2.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Plasmodium falciparum DHFR-TS qradruple mutant (N51I+C59R+S108N+I164L, V1/S) pyrimethamine complex |
0.69 |
|
28.39 |
0.97 |
2-158 |
X-ray |
2.30 |
homo-dimer |
2 x CP6, 2 x NDP, 2 x UMP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLST-----------------------------------GHTLVMG 3qg2.1 -KKNEVFNNYTFRGLGNKGVLPWKCISLDMKYFRAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMG
target RKTFESIG---KPLPNRRNVVLTSDTSFNV--EGVDVIHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYIT 3qg2.1 RTNWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFILGGSVVYQEFLEKKLIKKIYFT
target VIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 3qg2.1 RINSTYECDVFFPEINENEYQIISVSDVY--TSNNTTLDFIIYKKT-
|
|
6a2n.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Crystal structure of quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum DHFR-TS complexed with BT2, NADPH, and dUMP |
0.68 |
|
28.39 |
0.97 |
2-158 |
X-ray |
2.45 |
homo-dimer |
2 x 9QR, 2 x NAP, 2 x UMP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLST-----------------------------------GHTLVMG 6a2n.1 -KKNEVFNNYTFRGLGNKGVLPWKCISLDMKYFRAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMG
target RKTFESIG---KPLPNRRNVVLTSDTSFNV--EGVDVIHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYIT 6a2n.1 RTNWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFILGGSVVYQEFLEKKLIKKIYFT
target VIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 6a2n.1 RINSTYECDVFFPEINENEYQIISVSDVY--TSNNTTLDFIIYKKT-
|
|
6lhi.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with C466 (compound 42) and NADPH |
0.67 |
|
28.39 |
0.97 |
2-158 |
X-ray |
2.59 |
homo-dimer |
1 x MET, 2 x UMP, 2 x E9X, 2 x NDP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLST-----------------------------------GHTLVMG 6lhi.1 -KKNEVFNNYTFRGLGNKGVLPWKCISLDMKYFRAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMG
target RKTFESIG---KPLPNRRNVVLTSDTSFNV--EGVDVIHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYIT 6lhi.1 RTNWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFILGGSVVYQEFLEKKLIKKIYFT
target VIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 6lhi.1 RINSTYECDVFFPEINENEYQIISVSDVY--TSNNTTLDFIIYKKT-
|
|
6a2p.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Crystal structure of quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum DHFR-TS complexed with BT3, NADPH, and dUMP |
0.67 |
|
28.39 |
0.97 |
2-158 |
X-ray |
2.60 |
homo-dimer |
2 x 9RR, 1 x NAP, 2 x UMP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLST-----------------------------------GHTLVMG 6a2p.1 -KKNEVFNNYTFRGLGNKGVLPWKCISLDMKYFRAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMG
target RKTFESIG---KPLPNRRNVVLTSDTSFNV--EGVDVIHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYIT 6a2p.1 RTNWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFILGGSVVYQEFLEKKLIKKIYFT
target VIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 6a2p.1 RINSTYECDVFFPEINENEYQIISVSDVY--TSNNTTLDFIIYKKT-
|
|
4eil.4.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Crystal Structure of the loop truncated Toxoplasma gondii TS-DHFR |
0.58 |
|
33.11 |
0.95 |
3-153 |
X-ray |
2.20 |
homo-dimer |
2 x UMP, 2 x CB3, 2 x FOL, 2 x NDP |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPW-HLPNDLKHVKKL--------STGHTLVMGRKTFESIGK---PLPNRRNVVLTS--- 4eil.4 --VCLVVAMTPKRGIGINNGLPWPHLTTDFKHFSRVTKTTPEEASRFNAVVMGRKTWESMPRKFRPLVDRLNIVVSSSLK
target --DTSFNVEGVDVIHSIEDIYQLPG--------------HVFIFGGQTLFEEMID--KVDDMYITVIEGKFRGDTFFPPY 4eil.4 EEDIAAEKPQAEGQQRVRVCASLPAALSLLEEEYKDSVDQIFVVGGAGLYEAALSLGVASHLYITRVAREFPCDVFFPAF
target TFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 4eil.4 PGDDILSNKSTAAEKDNEATYRPIFI------
|
|
4eil.2.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Crystal Structure of the loop truncated Toxoplasma gondii TS-DHFR |
0.58 |
|
33.11 |
0.95 |
3-153 |
X-ray |
2.20 |
homo-dimer |
2 x UMP, 2 x CB3, 2 x FOL, 2 x NDP |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPW-HLPNDLKHVKKL--------STGHTLVMGRKTFESIGK---PLPNRRNVVLTS--- 4eil.2 --VCLVVAMTPKRGIGINNGLPWPHLTTDFKHFSRVTKTTPEEASRFNAVVMGRKTWESMPRKFRPLVDRLNIVVSSSLK
target --DTSFNVEGVDVIHSIEDIYQLPG--------------HVFIFGGQTLFEEMID--KVDDMYITVIEGKFRGDTFFPPY 4eil.2 EEDIAAEKPQAEGQQRVRVCASLPAALSLLEEEYKDSVDQIFVVGGAGLYEAALSLGVASHLYITRVAREFPCDVFFPAF
target TFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 4eil.2 PGDDILSNKSTAAEKDNEATYRPIFI------
|
|
7f3z.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Double mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS-K1, C59R+S108N) complexed with Trimethoprim (TOP), NADPH and dUMP |
0.67 |
|
28.39 |
0.97 |
2-158 |
X-ray |
2.60 |
homo-dimer |
2 x NDP, 2 x UMP, 2 x TOP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHL-PNDLKHVKKLST-----------------------------------GHTLVMG 7f3z.1 -KKNEVFNNYTFRGLGNKGVLPWKCNSLDMKYFRAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMG
target RKTFESIG---KPLPNRRNVVLTSDTSFNV--EGVDVIHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYIT 7f3z.1 RTNWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFT
target VIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 7f3z.1 RINSTYECDVFFPEINENEYQIISVSDVY--TSNNTTLDFIIYKKT-
|
|
7f3z.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Double mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS-K1, C59R+S108N) complexed with Trimethoprim (TOP), NADPH and dUMP |
0.67 |
|
28.39 |
0.97 |
2-158 |
X-ray |
2.60 |
homo-dimer |
2 x NDP, 2 x UMP, 2 x TOP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHL-PNDLKHVKKLST-----------------------------------GHTLVMG 7f3z.1 -KKNEVFNNYTFRGLGNKGVLPWKCNSLDMKYFRAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMG
target RKTFESIG---KPLPNRRNVVLTSDTSFNV--EGVDVIHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYIT 7f3z.1 RTNWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFT
target VIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 7f3z.1 RINSTYECDVFFPEINENEYQIISVSDVY--TSNNTTLDFIIYKKT-
|
|
3um5.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Double mutant (A16V+S108T) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS-T9/94) complexed with pyrimethamine, NADPH, and dUMP |
0.69 |
|
29.03 |
0.97 |
2-158 |
X-ray |
2.40 |
homo-dimer |
2 x CP6, 2 x NDP, 2 x UMP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHL-PNDLKHVKKLST-----------------------------------GHTLVMG 3um5.1 -KKNEVFNNYTFRGLGNKGVLPWKCNSLDMKYFCAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMG
target RKTFESIG---KPLPNRRNVVLTSDTSFNV--EGVDVIHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYIT 3um5.1 RTTWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFT
target VIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 3um5.1 RINSTYECDVFFPEINENEYQIISVSDVY--TSNNTTLDFIIYKKT-
|
|
3um5.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Double mutant (A16V+S108T) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS-T9/94) complexed with pyrimethamine, NADPH, and dUMP |
0.69 |
|
29.03 |
0.97 |
2-158 |
X-ray |
2.40 |
homo-dimer |
2 x CP6, 2 x NDP, 2 x UMP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHL-PNDLKHVKKLST-----------------------------------GHTLVMG 3um5.1 -KKNEVFNNYTFRGLGNKGVLPWKCNSLDMKYFCAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMG
target RKTFESIG---KPLPNRRNVVLTSDTSFNV--EGVDVIHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYIT 3um5.1 RTTWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFT
target VIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 3um5.1 RINSTYECDVFFPEINENEYQIISVSDVY--TSNNTTLDFIIYKKT-
|
|
7k62.1.A |
Dihydrofolate reductase
Crystal Structure of Dihydrofolate reductase from Mycobacterium kansasii in complex with NADP and inhibitor P218 |
0.72 |
|
30.46 |
0.95 |
4-157 |
X-ray |
2.05 |
monomer |
1 x NAP, 1 x MMV |
HHblits |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 7k62.1 ---GLIWAQSTSGVIGRGGDIPWRVPEDLSHFKRITMGHTVVMGRRTWDSLPASARPLPGRRNVVLSRQPGFVAEGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFR---GDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 7k62.1 GSLEDALTGPEDTWVIGGEQIYTLALPRAIRCEVTEVDVDLPRDDDDALAPPLDE-TWQGDVGEWQ--VSRSGLRYRFHS
target LIRKK 7k62.1 YYR--
|
|
2bl9.1.A |
DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE
X-ray crystal structure of Plasmodium vivax dihydrofolate reductase in complex with pyrimethamine and its derivative |
0.67 |
|
32.47 |
0.97 |
3-158 |
X-ray |
1.90 |
monomer |
1 x NDP, 1 x CP6 |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHL-PNDLKHVKKLST------------------------------------------ 2bl9.1 --KNEPFSPRTFRGLGNKGTLPWKCNSVDMKYFSSVTTYVDESKYEKLKWKRERYLRMEASQGGGDNTSGGDNTHGGDNA
target ---GHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFN--VEGVDVIHSIEDIYQL-----PGHVFIFGGQTLFEEMID 2bl9.1 DKLQNVVVMGRSSWESIPKQYKPLPNRINVVLSKTLTKEDVKEKVFIIDSIDDLLLLLKKLKYYKCFIIGGAQVYRECLS
target --KVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 2bl9.1 RNLIKQIYFTRINGAYPCDVFFPEFDESEFRVTSVSEVY--NSKGTTLDFLVYSKV-
|
|
6vs5.1.A |
Dihydrofolate reductase
Mycobacterium tuberculosis dihydrofolate reductase in complex with 5-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid (fragment 1) |
0.72 |
0.00 |
26.62 |
0.97 |
1-158 |
X-ray |
1.76 |
monomer |
1 x CO, 2 x 9FH, 1 x NDP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 6vs5.1 TMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKF---RGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 6vs5.1 GSLEEALT-SPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDE-TWRGETGEWR--FSRSGLRYRLYS
target LIRKK 6vs5.1 YHRS-
|
|
6ddw.1.A |
Dihydrofolate reductase
Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta-NADPH and N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-2-hydroxybenzene-1-carbonyl)-L-glutamic acid |
0.73 |
0.00 |
26.62 |
0.97 |
1-158 |
X-ray |
1.40 |
monomer |
1 x NDP, 1 x G7D |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 6ddw.1 TMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKF---RGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 6ddw.1 GSLEEALT-SPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDE-TWRGETGEWR--FSRSGLRYRLYS
target LIRKK 6ddw.1 YHRS-
|
|
6vv6.2.A |
Dihydrofolate reductase
Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB113 |
0.72 |
0.00 |
26.62 |
0.97 |
1-158 |
X-ray |
2.24 |
monomer |
1 x CO, 1 x NAP, 1 x RPJ |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 6vv6.2 TMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKF---RGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 6vv6.2 GSLEEALT-SPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDE-TWRGETGEWR--FSRSGLRYRLYS
target LIRKK 6vv6.2 YHRS-
|
|
6vvb.1.A |
Dihydrofolate reductase
Mycobacterium tuberculosis dihydrofolate reductase in complex with 6-methyl-5-(4-phenylthiazol-2-yl)-2- (trifluoromethyl)nicotinic acid (fragment 10) |
0.72 |
0.00 |
26.62 |
0.97 |
1-158 |
X-ray |
1.45 |
monomer |
1 x RQ4, 1 x P33, 1 x NAP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 6vvb.1 TMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKF---RGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 6vvb.1 GSLEEALT-SPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDE-TWRGETGEWR--FSRSGLRYRLYS
target LIRKK 6vvb.1 YHRS-
|
|
8cop.1.B |
Dihydrofolate reductase
Mycobacterium tuberculosis dihydrofolate reductase in complex with N-(4-(2,6-diamino-5-(cyclopropylethynyl)pyrimidin-4-yl)phenyl)methanesulfonamide |
0.72 |
0.00 |
26.62 |
0.97 |
1-158 |
X-ray |
1.80 |
homo-dimer |
2 x NDP, 2 x VCI, 2 x CO |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 8cop.1 TMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKF---RGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 8cop.1 GSLEEALT-SPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDE-TWRGETGEWR--FSRSGLRYRLYS
target LIRKK 8cop.1 YHRS-
|
|
8cq9.1.B |
Dihydrofolate reductase
Mycobacterium tuberculosis dihydrofolate reductase in complex with 5-(cyclopropylethynyl)-6-(4-(trifluoromethyl)phenyl)pyrimidine-2,4-diamine |
0.72 |
0.00 |
26.62 |
0.97 |
1-158 |
X-ray |
1.75 |
homo-dimer |
2 x VFU, 2 x NDP, 2 x CO, 1 x MES |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 8cq9.1 TMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKF---RGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 8cq9.1 GSLEEALT-SPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDE-TWRGETGEWR--FSRSGLRYRLYS
target LIRKK 8cq9.1 YHRS-
|
|
8cox.1.B |
Dihydrofolate reductase
Mycobacterium tuberculosis dihydrofolate reductase in complex with N-(2-(2,6-diamino-5-(cyclopropylethynyl)pyrimidin-4-yl)phenyl)methanesulfonamide |
0.71 |
0.00 |
26.62 |
0.97 |
1-158 |
X-ray |
2.10 |
homo-dimer |
2 x NDP, 2 x CO, 1 x VBJ |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 8cox.1 TMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKF---RGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 8cox.1 GSLEEALT-SPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDE-TWRGETGEWR--FSRSGLRYRLYS
target LIRKK 8cox.1 YHRS-
|
|
4dpd.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
WILD TYPE PLASMODIUM FALCIPARUM DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE (PfDHFR-TS), DHF COMPLEX, NADP+, dUMP |
0.67 |
|
28.39 |
0.97 |
2-158 |
X-ray |
2.50 |
homo-dimer |
1 x DHF, 1 x NAP, 2 x UMP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHL-PNDLKHVKKLST-----------------------------------GHTLVMG 4dpd.1 -KKNEVFNNYTFRGLGNKGVLPWKCNSLDMKYFCAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMG
target RKTFESIG---KPLPNRRNVVLTSDTSFNV--EGVDVIHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYIT 4dpd.1 RTSWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFT
target VIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 4dpd.1 RINSTYECDVFFPEINENEYQIISVSDVY--TSNNTTLDFIIYKKT-
|
|
3qgt.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Crystal structure of Wild-type PfDHFR-TS COMPLEXED WITH NADPH, dUMP AND PYRIMETHAMINE |
0.68 |
|
28.39 |
0.97 |
2-158 |
X-ray |
2.30 |
homo-dimer |
2 x CP6, 2 x NDP, 2 x UMP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHL-PNDLKHVKKLST-----------------------------------GHTLVMG 3qgt.1 -KKNEVFNNYTFRGLGNKGVLPWKCNSLDMKYFCAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMG
target RKTFESIG---KPLPNRRNVVLTSDTSFNV--EGVDVIHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYIT 3qgt.1 RTSWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFT
target VIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 3qgt.1 RINSTYECDVFFPEINENEYQIISVSDVY--TSNNTTLDFIIYKKT-
|
|
3qgt.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Crystal structure of Wild-type PfDHFR-TS COMPLEXED WITH NADPH, dUMP AND PYRIMETHAMINE |
0.67 |
|
28.39 |
0.97 |
2-158 |
X-ray |
2.30 |
homo-dimer |
2 x CP6, 2 x NDP, 2 x UMP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHL-PNDLKHVKKLST-----------------------------------GHTLVMG 3qgt.1 -KKNEVFNNYTFRGLGNKGVLPWKCNSLDMKYFCAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMG
target RKTFESIG---KPLPNRRNVVLTSDTSFNV--EGVDVIHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYIT 3qgt.1 RTSWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFT
target VIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 3qgt.1 RINSTYECDVFFPEINENEYQIISVSDVY--TSNNTTLDFIIYKKT-
|
|
4dpd.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
WILD TYPE PLASMODIUM FALCIPARUM DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE (PfDHFR-TS), DHF COMPLEX, NADP+, dUMP |
0.68 |
|
28.39 |
0.97 |
2-158 |
X-ray |
2.50 |
homo-dimer |
1 x DHF, 1 x NAP, 2 x UMP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHL-PNDLKHVKKLST-----------------------------------GHTLVMG 4dpd.1 -KKNEVFNNYTFRGLGNKGVLPWKCNSLDMKYFCAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMG
target RKTFESIG---KPLPNRRNVVLTSDTSFNV--EGVDVIHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYIT 4dpd.1 RTSWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFT
target VIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 4dpd.1 RINSTYECDVFFPEINENEYQIISVSDVY--TSNNTTLDFIIYKKT-
|
|
6a2o.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Crystal structure of wild type Plasmodium falciparum DHFR-TS complexed with BT3, NADPH, and dUMP |
0.68 |
|
28.39 |
0.97 |
2-158 |
X-ray |
2.35 |
homo-dimer |
2 x 9RR, 2 x NAP, 2 x UMP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHL-PNDLKHVKKLST-----------------------------------GHTLVMG 6a2o.1 -KKNEVFNNYTFRGLGNKGVLPWKCNSLDMKYFCAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMG
target RKTFESIG---KPLPNRRNVVLTSDTSFNV--EGVDVIHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYIT 6a2o.1 RTSWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFT
target VIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 6a2o.1 RINSTYECDVFFPEINENEYQIISVSDVY--TSNNTTLDFIIYKKT-
|
|
6a2k.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Crystal structure of wild type Plasmodium falciparum DHFR-TS complexed with BT1, NADPH, and dUMP |
0.66 |
|
28.39 |
0.97 |
2-158 |
X-ray |
2.38 |
homo-dimer |
2 x 9QO, 2 x NAP, 2 x UMP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHL-PNDLKHVKKLST-----------------------------------GHTLVMG 6a2k.1 -KKNEVFNNYTFRGLGNKGVLPWKCNSLDMKYFCAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMG
target RKTFESIG---KPLPNRRNVVLTSDTSFNV--EGVDVIHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYIT 6a2k.1 RTSWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFT
target VIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 6a2k.1 RINSTYECDVFFPEINENEYQIISVSDVY--TSNNTTLDFIIYKKT-
|
|
6a2o.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Crystal structure of wild type Plasmodium falciparum DHFR-TS complexed with BT3, NADPH, and dUMP |
0.66 |
|
28.39 |
0.97 |
2-158 |
X-ray |
2.35 |
homo-dimer |
2 x 9RR, 2 x NAP, 2 x UMP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHL-PNDLKHVKKLST-----------------------------------GHTLVMG 6a2o.1 -KKNEVFNNYTFRGLGNKGVLPWKCNSLDMKYFCAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMG
target RKTFESIG---KPLPNRRNVVLTSDTSFNV--EGVDVIHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYIT 6a2o.1 RTSWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFT
target VIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 6a2o.1 RINSTYECDVFFPEINENEYQIISVSDVY--TSNNTTLDFIIYKKT-
|
|
6a2m.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Crystal structure of wild type Plasmodium falciparum DHFR-TS complexed with BT2, NADPH, and dUMP |
0.68 |
|
28.39 |
0.97 |
2-158 |
X-ray |
2.20 |
homo-dimer |
2 x 9QR, 2 x NAP, 2 x UMP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHL-PNDLKHVKKLST-----------------------------------GHTLVMG 6a2m.1 -KKNEVFNNYTFRGLGNKGVLPWKCNSLDMKYFCAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMG
target RKTFESIG---KPLPNRRNVVLTSDTSFNV--EGVDVIHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYIT 6a2m.1 RTSWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFT
target VIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 6a2m.1 RINSTYECDVFFPEINENEYQIISVSDVY--TSNNTTLDFIIYKKT-
|
|
7f3y.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with methotrexate (MTX), NADPH and dUMP |
0.69 |
|
28.39 |
0.97 |
2-158 |
X-ray |
2.25 |
homo-dimer |
2 x NDP, 3 x MTX, 2 x UMP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHL-PNDLKHVKKLST-----------------------------------GHTLVMG 7f3y.1 -KKNEVFNNYTFRGLGNKGVLPWKCNSLDMKYFCAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMG
target RKTFESIG---KPLPNRRNVVLTSDTSFNV--EGVDVIHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYIT 7f3y.1 RTSWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFT
target VIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 7f3y.1 RINSTYECDVFFPEINENEYQIISVSDVY--TSNNTTLDFIIYKKT-
|
|
7cty.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Wild type plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS), fragment 263, NADP+, dUMP |
0.68 |
|
28.39 |
0.97 |
2-158 |
X-ray |
2.80 |
homo-dimer |
1 x NDP, 2 x GF3 |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHL-PNDLKHVKKLST-----------------------------------GHTLVMG 7cty.1 -KKNEVFNNYTFRGLGNKGVLPWKCNSLDMKYFCAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMG
target RKTFESIG---KPLPNRRNVVLTSDTSFNV--EGVDVIHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYIT 7cty.1 RTSWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFT
target VIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 7cty.1 RINSTYECDVFFPEINENEYQIISVSDVY--TSNNTTLDFIIYKKT-
|
|
7f3y.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with methotrexate (MTX), NADPH and dUMP |
0.68 |
|
28.39 |
0.97 |
2-158 |
X-ray |
2.25 |
homo-dimer |
2 x NDP, 3 x MTX, 2 x UMP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHL-PNDLKHVKKLST-----------------------------------GHTLVMG 7f3y.1 -KKNEVFNNYTFRGLGNKGVLPWKCNSLDMKYFCAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMG
target RKTFESIG---KPLPNRRNVVLTSDTSFNV--EGVDVIHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYIT 7f3y.1 RTSWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFT
target VIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 7f3y.1 RINSTYECDVFFPEINENEYQIISVSDVY--TSNNTTLDFIIYKKT-
|
|
7ctw.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with fragment 820, NADPH, dUMP |
0.63 |
|
28.39 |
0.97 |
2-158 |
X-ray |
2.51 |
homo-dimer |
2 x NDP, 1 x GEX |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHL-PNDLKHVKKLST-----------------------------------GHTLVMG 7ctw.1 -KKNEVFNNYTFRGLGNKGVLPWKCNSLDMKYFCAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMG
target RKTFESIG---KPLPNRRNVVLTSDTSFNV--EGVDVIHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYIT 7ctw.1 RTSWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFT
target VIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 7ctw.1 RINSTYECDVFFPEINENEYQIISVSDVY--TSNNTTLDFIIYKKT-
|
|
6cxm.1.A |
Dihydrofolate reductase
Crystal structure of a dihydrofolate reductase from Mycobacterium smegmatis in complex with NADP and P218 |
0.71 |
|
29.33 |
0.94 |
1-157 |
X-ray |
2.65 |
monomer |
1 x NAP, 1 x MMV |
HHblits |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 6cxm.1 MSMRLIWAQSTSGIIGRDNSIPWRLPEDLARFKEMTMGHPVVMGRLTWESLPASVRPLPGRRNIVVTRDADYRAEGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKF---RGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 6cxm.1 TDLPD----EPDAWVIGGAQIYAMALARADRCEVTEVDIALTPLDGDARAPVLDD-SWVATTGEWQ--TSTSGLRFRFCS
target LIRKK 6cxm.1 YRR--
|
|
7l9t.1.A |
Dihydrofolate reductase
Crystal Structure of Dihydrofolate reductase from Mycolicibacterium smegmatis in complex with SDDC-0001565 inhibitor |
0.68 |
|
29.33 |
0.94 |
1-157 |
X-ray |
1.80 |
monomer |
1 x QKJ |
HHblits |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 7l9t.1 MSMRLIWAQSTSGIIGRDNSIPWRLPEDLARFKEMTMGHPVVMGRLTWESLPASVRPLPGRRNIVVTRDADYRAEGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKF---RGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 7l9t.1 TDLPD----EPDAWVIGGAQIYAMALARADRCEVTEVDIALTPLDGDARAPVLDD-SWVATTGEWQ--TSTSGLRFRFCS
target LIRKK 7l9t.1 YRR--
|
|
4m2x.2.A |
Dihydrofolate reductase
Mycobacterium tuberculosis dihydrofolate reductase complexed with trimetrexate (TMQ) |
0.72 |
0.00 |
26.80 |
0.96 |
2-158 |
X-ray |
2.26 |
monomer |
1 x NDP, 1 x TMQ |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 4m2x.2 -MVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKF---RGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 4m2x.2 GSLEEALT-SPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDE-TWRGETGEWR--FSRSGLRYRLYS
target LIRKK 4m2x.2 YHRS-
|
|
4m2x.1.A |
Dihydrofolate reductase
Mycobacterium tuberculosis dihydrofolate reductase complexed with trimetrexate (TMQ) |
0.71 |
|
26.80 |
0.96 |
2-158 |
X-ray |
2.26 |
monomer |
1 x NDP, 1 x TMQ |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 4m2x.1 -MVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKF---RGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 4m2x.1 GSLEEALT-SPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDE-TWRGETGEWR--FSRSGLRYRLYS
target LIRKK 4m2x.1 YHRS-
|
|
4m2x.4.A |
Dihydrofolate reductase
Mycobacterium tuberculosis dihydrofolate reductase complexed with trimetrexate (TMQ) |
0.72 |
|
26.80 |
0.96 |
2-158 |
X-ray |
2.26 |
monomer |
1 x NDP, 1 x TMQ |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 4m2x.4 -MVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKF---RGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 4m2x.4 GSLEEALT-SPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDE-TWRGETGEWR--FSRSGLRYRLYS
target LIRKK 4m2x.4 YHRS-
|
|
6nnh.3.B |
Dihydrofolate reductase
Structure of Closed state of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and cycloguanil |
0.72 |
|
26.80 |
0.96 |
2-158 |
X-ray |
1.52 |
homo-dimer |
2 x 1CY, 2 x NDP, 2 x CO |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 6nnh.3 -MVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKF---RGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 6nnh.3 GSLEEALT-SPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDE-TWRGETGEWRF--SRSGLRYRLYS
target LIRKK 6nnh.3 YHRS-
|
|
6dds.1.A |
Dihydrofolate reductase
Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta-NADPH and 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid |
0.72 |
|
26.80 |
0.96 |
2-158 |
X-ray |
1.72 |
monomer |
1 x NDP, 1 x U75 |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 6dds.1 -MVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKF---RGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 6dds.1 GSLEEALT-SPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDE-TWRGETGEWRF--SRSGLRYRLYS
target LIRKK 6dds.1 YHRS-
|
|
6ddp.1.A |
Dihydrofolate reductase
Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta-NADPH and 3'-[(2R)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid |
0.73 |
|
26.80 |
0.96 |
2-158 |
X-ray |
1.49 |
monomer |
1 x NDP, 1 x G6Y |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 6ddp.1 -MVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKF---RGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 6ddp.1 GSLEEALT-SPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDE-TWRGETGEWRF--SRSGLRYRLYS
target LIRKK 6ddp.1 YHRS-
|
|
6nnh.1.A |
Dihydrofolate reductase
Structure of Closed state of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and cycloguanil |
0.72 |
|
26.80 |
0.96 |
2-158 |
X-ray |
1.52 |
monomer |
1 x 1CY, 1 x NDP, 1 x CO |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 6nnh.1 -MVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKF---RGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 6nnh.1 GSLEEALT-SPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDE-TWRGETGEWRF--SRSGLRYRLYS
target LIRKK 6nnh.1 YHRS-
|
|
6dds.2.A |
Dihydrofolate reductase
Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta-NADPH and 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid |
0.73 |
|
26.80 |
0.96 |
2-158 |
X-ray |
1.72 |
monomer |
1 x NDP, 1 x U75 |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 6dds.2 -MVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKF---RGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 6dds.2 GSLEEALT-SPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDE-TWRGETGEWRF--SRSGLRYRLYS
target LIRKK 6dds.2 YHRS-
|
|
1df7.1.A |
DIHYDROFOLATE REDUCTASE
DIHYDROFOLATE REDUCTASE OF MYCOBACTERIUM TUBERCULOSIS COMPLEXED WITH NADPH AND METHOTREXATE |
0.73 |
|
26.80 |
0.96 |
2-158 |
X-ray |
1.70 |
monomer |
1 x NDP, 1 x MTX |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 1df7.1 -MVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKF---RGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 1df7.1 GSLEEALT-SPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDE-TWRGETGEWRF--SRSGLRYRLYS
target LIRKK 1df7.1 YHRS-
|
|
5ja3.1.B |
Dihydrofolate reductase
Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta- NADPH and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-b iphenyl]-4-carboxylic acid (UCP1106) |
0.72 |
|
26.80 |
0.96 |
2-158 |
X-ray |
1.81 |
homo-tetramer |
4 x NDP, 4 x U06 |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 5ja3.1 -MVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKF---RGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 5ja3.1 GSLEEALT-SPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDE-TWRGETGEWRF--SRSGLRYRLYS
target LIRKK 5ja3.1 YHRS-
|
|
8cqa.1.B |
Dihydrofolate reductase
Mycobacterium tuberculosis dihydrofolate reductase in complex with N-(4-(2,6-diamino-5-(cyclopropylethynyl)pyrimidin-4-yl)phenyl)acetamide |
0.70 |
|
26.80 |
0.96 |
2-158 |
X-ray |
2.00 |
homo-dimer |
2 x VF6, 2 x NDP, 2 x CO, 1 x MES |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 8cqa.1 -MVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKF---RGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 8cqa.1 GSLEEALT-SPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDE-TWRGETGEWRF--SRSGLRYRLYS
target LIRKK 8cqa.1 YHRS-
|
|
8cqa.1.A |
Dihydrofolate reductase
Mycobacterium tuberculosis dihydrofolate reductase in complex with N-(4-(2,6-diamino-5-(cyclopropylethynyl)pyrimidin-4-yl)phenyl)acetamide |
0.71 |
|
26.80 |
0.96 |
2-158 |
X-ray |
2.00 |
homo-dimer |
2 x VF6, 2 x NDP, 2 x CO, 1 x MES |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 8cqa.1 -MVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKF---RGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 8cqa.1 GSLEEALT-SPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDE-TWRGETGEWRF--SRSGLRYRLYS
target LIRKK 8cqa.1 YHRS-
|
|
5u27.1.A |
Dihydrofolate reductase
Crystal Structure of Mycobacterium tuberculosis Dihydrofolate Reductase Bound to NADP and p65 Inhibitor |
0.72 |
|
26.80 |
0.96 |
2-158 |
X-ray |
2.05 |
monomer |
1 x NAP, 1 x P65 |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 5u27.1 -MVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKF---RGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 5u27.1 GSLEEALT-SPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDE-TWRGETGEWR--FSRSGLRYRLYS
target LIRKK 5u27.1 YHRS-
|
|
4km0.2.A |
Dihydrofolate reductase
Crystal structure of dihydrofolate reductase from Mycobacterium tuberculosis in complex with pyrimethamine |
0.70 |
|
26.80 |
0.96 |
2-158 |
X-ray |
1.30 |
monomer |
1 x CP6, 1 x ATR |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 4km0.2 -MVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKF---RGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 4km0.2 GSLEEALT-SPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDE-TWRGETGEWR--FSRSGLRYRLYS
target LIRKK 4km0.2 YHRS-
|
|
4km2.1.A |
Dihydrofolate reductase
Crystal structure of Dihydrofolate reductase from Mycobacterium tuberculosis in an open conformation in complex with trimethoprim |
0.71 |
|
26.80 |
0.96 |
2-158 |
X-ray |
1.40 |
monomer |
1 x ATR, 1 x TOP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 4km2.1 -MVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKF---RGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 4km2.1 GSLEEALT-SPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDE-TWRGETGEWR--FSRSGLRYRLYS
target LIRKK 4km2.1 YHRS-
|
|
4km2.2.A |
Dihydrofolate reductase
Crystal structure of Dihydrofolate reductase from Mycobacterium tuberculosis in an open conformation in complex with trimethoprim |
0.70 |
|
26.80 |
0.96 |
2-158 |
X-ray |
1.40 |
monomer |
1 x ATR, 1 x TOP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 4km2.2 -MVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKF---RGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 4km2.2 GSLEEALT-SPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDE-TWRGETGEWR--FSRSGLRYRLYS
target LIRKK 4km2.2 YHRS-
|
|
4kl9.1.A |
Dihydrofolate reductase
Crystal structure of dihydrofolate reductase from Mycobacterium tuberculosis in the space group C2 |
0.72 |
|
26.80 |
0.96 |
2-158 |
X-ray |
1.39 |
monomer |
1 x NDP, 1 x P33 |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 4kl9.1 -MVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKF---RGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 4kl9.1 GSLEEALT-SPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDE-TWRGETGEWR--FSRSGLRYRLYS
target LIRKK 4kl9.1 YHRS-
|
|
5sd2.1.A |
Dihydrofolate reductase
Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1236 (enantiomer) |
0.72 |
|
26.80 |
0.96 |
2-158 |
X-ray |
2.00 |
monomer |
1 x NAP, 1 x HJI |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 5sd2.1 -MVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKF---RGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 5sd2.1 GSLEEALT-SPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDE-TWRGETGEWR--FSRSGLRYRLYS
target LIRKK 5sd2.1 YHRS-
|
|
5scm.1.A |
Dihydrofolate reductase
Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-22 |
0.73 |
|
26.80 |
0.96 |
2-158 |
X-ray |
1.65 |
monomer |
1 x GHU, 1 x NAP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 5scm.1 -MVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKF---RGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 5scm.1 GSLEEALT-SPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDE-TWRGETGEWR--FSRSGLRYRLYS
target LIRKK 5scm.1 YHRS-
|
|
5scp.1.A |
Dihydrofolate reductase
Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-23 |
0.72 |
|
26.80 |
0.96 |
2-158 |
X-ray |
1.80 |
monomer |
1 x NAP, 1 x GWL |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 5scp.1 -MVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKF---RGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 5scp.1 GSLEEALT-SPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDE-TWRGETGEWR--FSRSGLRYRLYS
target LIRKK 5scp.1 YHRS-
|
|
6vv7.2.A |
Dihydrofolate reductase
Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB136 |
0.72 |
|
26.80 |
0.96 |
2-158 |
X-ray |
2.00 |
monomer |
1 x NDP, 1 x CO, 1 x RPM |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 6vv7.2 -MVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKF---RGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 6vv7.2 GSLEEALT-SPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDE-TWRGETGEWR--FSRSGLRYRLYS
target LIRKK 6vv7.2 YHRS-
|
|
6vv8.1.A |
Dihydrofolate reductase
Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB285 |
0.72 |
|
26.80 |
0.96 |
2-158 |
X-ray |
2.68 |
monomer |
2 x CO, 1 x NAP, 1 x RPV |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 6vv8.1 -MVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKF---RGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 6vv8.1 GSLEEALT-SPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDE-TWRGETGEWR--FSRSGLRYRLYS
target LIRKK 6vv8.1 YHRS-
|
|
6vv9.2.A |
Dihydrofolate reductase
Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB300 |
0.72 |
|
26.80 |
0.96 |
2-158 |
X-ray |
2.18 |
monomer |
2 x CO, 1 x NDP, 1 x RQ1 |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 6vv9.2 -MVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKF---RGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 6vv9.2 GSLEEALT-SPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDE-TWRGETGEWR--FSRSGLRYRLYS
target LIRKK 6vv9.2 YHRS-
|
|
5ujf.1.A |
Dihydrofolate reductase
Crystal Structure of Mycobacterium tuberculosis Dihydrofolate Reductase Bound p218 Inhibitor |
0.70 |
|
26.80 |
0.96 |
2-158 |
X-ray |
2.30 |
monomer |
1 x MMV |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 5ujf.1 -MVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKF---RGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 5ujf.1 GSLEEALT-SPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDE-TWRGETGEWR--FSRSGLRYRLYS
target LIRKK 5ujf.1 YHRS-
|
|
2w3v.1.A |
DIHYDROFOLATE REDUCTASE
MYCOBACTERIUM AVIUM DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND TRIMETHOPRIM |
0.72 |
|
27.74 |
0.97 |
1-158 |
X-ray |
1.89 |
monomer |
1 x NDP, 1 x TOP |
HHblits |
0.34 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 2w3v.1 AEVGLVWAQSTSGVIGRGGDIPWSVPEDLTRFKEVTMGHTVIMGRRTWESLPAKVRPLPGRRNVVVSRRPDFVAEGARVA
target HSIEDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKF---RGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHT 2w3v.1 GSLEAALAYAGSDPAPWVIGGAQIYLLALPHATRCEVTEIEIDLRRDDDDALAPALDD-SWVGETGEWL--ASRSGLRYR
target FLHLIRKK 2w3v.1 FHSYRRD-
|
|
2cig.1.A |
DIHYDROFOLATE REDUCTASE
Dihydrofolate reductase from Mycobacterium tuberculosis inhibited by the acyclic 4R isomer of INH-NADP a derivative of the prodrug isoniazid. |
0.72 |
|
26.14 |
0.96 |
2-158 |
X-ray |
1.90 |
monomer |
1 x 1DG |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 2cig.1 -MVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRVWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKF---RGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 2cig.1 GSLEEALT-SPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDE-TWRGETGEWRF--SRSGLRYRLYS
target LIRKK 2cig.1 YHRS-
|
|
7rgj.1.B |
Dihydrofolate reductase type 1
DfrA1 complexed with NADPH and 5-(3-(7-(4-(aminomethyl)phenyl)benzo[d][1,3]dioxol-5-yl)but-1-yn-1-yl)-6-ethylpyrimidine-2,4-diamine (UCP1223) |
0.72 |
|
30.26 |
0.96 |
1-158 |
X-ray |
1.44 |
homo-dimer |
2 x NAP, 2 x CA, 2 x 8MU, 1 x 560 |
HHblits |
0.36 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNV-EGVDVIHS 7rgj.1 MKLSLMVAISKNGVIGNGPDIPWSAKGEQLLFKAITYNQWLLVGRKTFESMG-ALPNRKYAVVTRSSFTSDNENVLIFPS
target IEDIYQL----PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHL 7rgj.1 IKDALTNLKKITDHVIVSGGGEIYKSLIDQVDTLHISTIDIEPEGDVYFPEIP-SNFRPVFTQDF----ASNINYSYQIW
target IRKK 7rgj.1 QKG-
|
|
7myl.1.A |
Dihydrofolate reductase
Crystal structure of DfrA1 dihydrofolate reductase in complex with TRIMETHOPRIM |
0.68 |
|
30.26 |
0.96 |
1-158 |
X-ray |
2.15 |
homo-dimer |
2 x TOP |
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFN-VEGVDVIHS 7myl.1 MKLSLMVAISKNGVIGNGPDIPWSAKGEQLLFKAITYNQWLLVGRKTFESMG-ALPNRKYAVVTRSSFTSDNENVLIFPS
target IEDIYQL----PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHL 7myl.1 IKDALTNLKKITDHVIVSGGGEIYKSLIDQVDTLHISTIDIEPEGDVYFPEIPS-NFRPVFTQDF----ASNINYSYQIW
target IRKK 7myl.1 QKG-
|
|
6rul.1.A |
GFP-LAMA-F98 a GFP enhancer nanobody with cpDHFR insertion,Dihydrofolate reductase,GFP-LAMA-F98 a GFP enhancer nanobody with cpDHFR insertion,Dihydrofolate reductase,Dihydrofolate reductase,GFP-LAMA-F98 a GFP enhancer nanobody with cpDHFR insertion,Dihydrofolate reductase,GFP-LAMA-F98 a GFP enhancer nanobody with cpDHFR insertion
Crystal structure of GFP-LAMA-F98 - a GFP enhancer nanobody with cpDHFR insertion and TMP and NADPH |
0.71 |
|
30.20 |
0.94 |
10-159 |
X-ray |
2.20 |
monomer |
1 x TOP, 1 x NDP |
HHblits |
0.36 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 6rul.1 ---------PEDTAVYYCNVNVGFLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 6rul.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 6rul.1 RG
|
|
7r6g.1.A |
Dihydrofolate reductase type 5
Crystal structure of DfrA5 dihydrofolate reductase in complex with TRIMETHOPRIM and NADPH |
0.72 |
|
29.61 |
0.96 |
1-158 |
X-ray |
2.61 |
homo-dimer |
2 x TOP, 2 x NDP |
HHblits |
0.34 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNV-EGVDVIHS 7r6g.1 MKVSLMAAKAKNGVIGCGPHIPWSAKGEQLLFKALTYNQWLLVGRKTFESMG-ALPNRKYAVVTRSAWTADNDNVIVFPS
target IEDIYQL----PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHL 7r6g.1 IEEAMYGLAELTDHVIVSGGGEIYRETLPMASTLHISTIDIEPEGDVFFPNIPN-TFEVVFEQHF----SSNINYCYQIW
target IRKK 7r6g.1 QKG-
|
|
1vdr.1.A |
DIHYDROFOLATE REDUCTASE
DIHYDROFOLATE REDUCTASE |
0.69 |
|
25.17 |
0.95 |
1-158 |
X-ray |
2.55 |
homo-dimer |
|
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNV-EGVDVIH 1vdr.1 MELVSVAALAENRVIGRDGELPWPSIPADKKQYRSRIADDPVVLGRTTFESMRDDLPGSAQIVMSRSERSFSVDTAHRAA
target SIEDIYQL-----PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFL 1vdr.1 SVEEAVDIAASLDAETAYVIGGAAIYALFQPHLDRMVLSRVPGEYEGDTYYPEWDAAEWELDAETDH-------EGFTLQ
target HLIRKK 1vdr.1 EWVRS-
|
|
1vdr.1.B |
DIHYDROFOLATE REDUCTASE
DIHYDROFOLATE REDUCTASE |
0.69 |
|
25.17 |
0.95 |
1-158 |
X-ray |
2.55 |
homo-dimer |
|
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNV-EGVDVIH 1vdr.1 MELVSVAALAENRVIGRDGELPWPSIPADKKQYRSRIADDPVVLGRTTFESMRDDLPGSAQIVMSRSERSFSVDTAHRAA
target SIEDIYQL-----PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFL 1vdr.1 SVEEAVDIAASLDAETAYVIGGAAIYALFQPHLDRMVLSRVPGEYEGDTYYPEWDAAEWELDAETDH-------EGFTLQ
target HLIRKK 1vdr.1 EWVRS-
|
|
2ith.1.A |
Dihydrofolate reductase
NMR Structure of Haloferax volcanii DHFR |
0.61 |
|
25.17 |
0.95 |
1-158 |
NMR |
0.00 |
monomer |
|
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNV-EGVDVIH 2ith.1 MELVSVAALAENRVIGRDGELPWPSIPADKKQYRSRVADDPVVLGRTTFESMRDDLPGSAQIVMSRSERSFSVDTAHRAA
target SIEDIYQL-----PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFL 2ith.1 SVEEAVDIAASLDAETAYVIGGAAIYALFQPHLDRMVLSRVPGEYEGDTYYPEWDAAEWELDAETDH-------EGFTLQ
target HLIRKK 2ith.1 EWVRS-
|
|
2jyb.1.A |
Dihydrofolate reductase
binary hvDHFR1:folate complex |
0.60 |
|
25.17 |
0.95 |
1-158 |
NMR |
0.00 |
monomer |
|
HHblits |
0.35 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNV-EGVDVIH 2jyb.1 MELVSVAALAENRVIGRDGELPWPSIPADKKQYRSRVADDPVVLGRTTFESMRDDLPGSAQIVMSRSERSFSVDTAHRAA
target SIEDIYQL-----PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFL 2jyb.1 SVEEAVDIAASLDAETAYVIGGAAIYALFQPHLDRMVLSRVPGEYEGDTYYPEWDAAEWELDAETDH-------EGFTLQ
target HLIRKK 2jyb.1 EWVRS-
|
|
1cz3.1.A |
DIHYDROFOLATE REDUCTASE
DIHYDROFOLATE REDUCTASE FROM THERMOTOGA MARITIMA |
0.63 |
|
29.80 |
0.95 |
2-158 |
X-ray |
2.10 |
homo-dimer |
|
HHblits |
0.34 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG-HTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNV-EG-VDVI 1cz3.1 -KVIFVLAMDVSGKIASSV-ESWSSFEDRKNFRKITTEIGNVVMGRITFEEIGRPLPERLNVVLTRRPKTSNNPSLVFFN
target HSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYITVIEGKF-RGDTFFPPYTF-EDWEVASSVEGKLDEKNTI 1cz3.1 GSPADVVKFLEGKGYERVAVIGGKTVFTEFLREKLVDELFVTVEPYVFGKGIPFFDEFEGYFPLKLLEMRRLN-----ER
target PHTFLHLIRKK 1cz3.1 GTLFLKYSVE-
|
|
1d1g.1.B |
DIHYDROFOLATE REDUCTASE
DIHYDROFOLATE REDUCTASE FROM THERMOTOGA MARITIMA |
0.62 |
|
29.80 |
0.95 |
2-158 |
X-ray |
2.10 |
homo-dimer |
2 x NDP, 2 x MTX |
HHblits |
0.34 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG-HTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNV-EG-VDVI 1d1g.1 -KVIFVLAMDVSGKIASSV-ESWSSFEDRKNFRKITTEIGNVVMGRITFEEIGRPLPERLNVVLTRRPKTSNNPSLVFFN
target HSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYITVIEGKF-RGDTFFPPYTF-EDWEVASSVEGKLDEKNTI 1d1g.1 GSPADVVKFLEGKGYERVAVIGGKTVFTEFLREKLVDELFVTVEPYVFGKGIPFFDEFEGYFPLKLLEMRRLN-----ER
target PHTFLHLIRKK 1d1g.1 GTLFLKYSVE-
|
|
3l3r.1.A |
Dihydrofolate reductase
Structural, Computational and Kinetic Data for Antifolate Interactions Against Pneumocystis jirovecii, Pneumocystis carinii and Human Dihydrofolate Reductase and Their Active Site Mutants |
0.61 |
0.00 |
30.77 |
0.90 |
2-144 |
X-ray |
2.00 |
monomer |
1 x OAG, 1 x NDP |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 3l3r.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFKRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 3l3r.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 3l3r.1 YPGVLSD---------------
|
|
3f8y.1.A |
Dihydrofolate reductase
Correlations of Human Dihydrofolate Reductase with Structural Data for Human Active Site Mutant Enzyme Complexes |
0.61 |
0.00 |
30.77 |
0.90 |
2-144 |
X-ray |
1.45 |
monomer |
1 x DH1, 1 x NDP |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 3f8y.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFKRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 3f8y.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 3f8y.1 YPGVLSD---------------
|
|
3ghv.1.A |
Dihydrofolate reductase
Human dihydrofolate reductase Q35K/N64F double mutant inhibitor complex |
0.60 |
0.00 |
30.77 |
0.90 |
2-144 |
X-ray |
1.30 |
monomer |
1 x GHC, 1 x NDP |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESIG---KPLPNRRNVVLTSDTSF 3ghv.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFKRMTTTSSVEGKQNLVIMGKKTWFSIPEKFRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 3ghv.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 3ghv.1 YPGVLSD---------------
|
✓
|
2w3m.1.A |
DIHYDROFOLATE REDUCTASE
HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND FOLATE |
0.60 |
0.00 |
30.07 |
0.90 |
2-144 |
X-ray |
1.60 |
monomer |
1 x NDP, 1 x FOL |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 2w3m.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 2w3m.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 2w3m.1 YPGVLSD---------------
|
|
6dav.2.A |
Dihydrofolate reductase
Crystal Structure of Human DHFR complexed with NADP and N10formyltetrahydrofolate |
0.61 |
0.00 |
30.07 |
0.90 |
2-144 |
X-ray |
1.55 |
monomer |
1 x NAP, 1 x G3V |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 6dav.2 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 6dav.2 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 6dav.2 YPGVLSD---------------
|
|
3fs6.1.A |
Dihydrofolate reductase
Correlations of Inhibitor Kinetics for Pneumocystis jirovecii and Human Dihydrofolate Reductase with Structural Data for Human Active Site Mutant Enzyme Complexes |
0.61 |
|
30.07 |
0.90 |
2-144 |
X-ray |
1.23 |
monomer |
1 x DH1, 1 x NDP |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 3fs6.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 3fs6.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 3fs6.1 YPGVLSD---------------
|
|
3gyf.1.A |
Dihydrofolate reductase
Human DHFR with Z-isomer in Orthorhombic lattice |
0.61 |
|
30.07 |
0.90 |
2-144 |
X-ray |
1.70 |
monomer |
1 x 51P, 1 x NDP |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 3gyf.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 3gyf.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 3gyf.1 YPGVLSD---------------
|
|
4m6l.1.A |
Dihydrofolate reductase
Crystal structure of human dihydrofolate reductase (DHFR) bound to NADP+ and 5,10-dideazatetrahydrofolic acid |
0.61 |
|
30.07 |
0.90 |
2-144 |
X-ray |
1.70 |
monomer |
1 x 21V, 1 x NAP, 1 x DTT |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 4m6l.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 4m6l.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 4m6l.1 YPGVLSD---------------
|
|
4m6j.1.A |
Dihydrofolate reductase
Crystal structure of human dihydrofolate reductase (DHFR) bound to NADPH |
0.61 |
|
30.07 |
0.90 |
2-144 |
X-ray |
1.20 |
monomer |
1 x NDP |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 4m6j.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 4m6j.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 4m6j.1 YPGVLSD---------------
|
|
7xi7.1.A |
Dihydrofolate reductase
Human dihydrofolate reductase complexed with P39 |
0.60 |
|
30.07 |
0.90 |
2-144 |
X-ray |
1.65 |
monomer |
1 x 4RI |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 7xi7.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 7xi7.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 7xi7.1 YPGVLSD---------------
|
|
1mvt.1.A |
Dihydrofolate Reductase
Analysis of Two Polymorphic Forms of a Pyrido[2,3-d]pyrimidine N9-C10 Reverse-Bridge Antifolate Binary Complex with Human Dihydrofolate Reductase |
0.60 |
|
30.07 |
0.90 |
2-144 |
X-ray |
1.80 |
monomer |
1 x DTM |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 1mvt.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 1mvt.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 1mvt.1 YPGVLSD---------------
|
|
5sd7.1.A |
Dihydrofolate reductase
Crystal Structure of Dihydrofolate Reductase from Homo sapiens bound to NADP and SDDC Inhibitor SDDC-735 |
0.60 |
|
30.07 |
0.90 |
2-144 |
X-ray |
1.80 |
monomer |
1 x NAP, 1 x I0E |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 5sd7.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 5sd7.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 5sd7.1 YPGVLSD---------------
|
|
3nxo.1.A |
Dihydrofolate reductase
Perferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro[2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase |
0.60 |
|
30.07 |
0.90 |
2-144 |
X-ray |
1.35 |
monomer |
1 x D2B, 1 x NDP |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 3nxo.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPERNRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 3nxo.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 3nxo.1 YPGVLSD---------------
|
|
1pd8.1.A |
Dihydrofolate reductase
Analysis of Three Crystal Structure Determinations of a 5-Methyl-6-N-Methylanilino Pyridopyrimidine Antifolate Complex with Human Dihydrofolate Reductase |
0.61 |
|
30.07 |
0.90 |
2-144 |
X-ray |
2.10 |
monomer |
1 x NDP, 1 x CO4 |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 1pd8.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 1pd8.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 1pd8.1 YPGVLSD---------------
|
|
1pd9.1.A |
Dihydrofolate reductase
Analysis of Three Crystal Structure Determinations of a 5-Methyl-6-N-Methylanilino Pyridopyrimidine antifolate Complex with Human Dihydrofolate Reductase |
0.60 |
|
30.07 |
0.90 |
2-144 |
X-ray |
2.20 |
monomer |
1 x CO4 |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 1pd9.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 1pd9.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 1pd9.1 YPGVLSD---------------
|
|
1s3v.1.A |
Dihydrofolate reductase
Structure Determination of Tetrahydroquinazoline Antifolates in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry |
0.59 |
|
30.07 |
0.90 |
2-144 |
X-ray |
1.80 |
monomer |
1 x TQD |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 1s3v.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 1s3v.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 1s3v.1 YPGVLSD---------------
|
|
4keb.1.A |
Dihydrofolate reductase
Human dihydrofolate reductase complexed with NADPH and 5-{3-[3-methoxy-5-(isoquin-5-yl)phenyl]but-1-yn-1-yl}6-ethylpyrimidine-2,4-diamine |
0.61 |
|
30.07 |
0.90 |
2-144 |
X-ray |
1.45 |
monomer |
1 x NDP, 1 x 1QZ |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 4keb.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 4keb.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 4keb.1 YPGVLSD---------------
|
|
4kd7.2.A |
Dihydrofolate reductase
Human dihydrofolate reductase complexed with NADPH and 5-{3-[3-methoxy-5(pyridine-4-yl)phenyl]prop-1-yn-1-yl}-6-ethyl-pyrimidine-2,4-diamine |
0.60 |
|
30.07 |
0.90 |
2-144 |
X-ray |
2.72 |
monomer |
1 x NDP, 1 x 9DR |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 4kd7.2 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 4kd7.2 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 4kd7.2 YPGVLSD---------------
|
|
1dhf.1.A |
DIHYDROFOLATE REDUCTASE
CRYSTAL STRUCTURES OF RECOMBINANT HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE AND 5-DEAZOFOLATE |
0.61 |
|
30.07 |
0.90 |
2-144 |
X-ray |
2.30 |
homo-dimer |
2 x FOL |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 1dhf.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 1dhf.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 1dhf.1 YPGVLSD---------------
|
|
1dhf.1.B |
DIHYDROFOLATE REDUCTASE
CRYSTAL STRUCTURES OF RECOMBINANT HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE AND 5-DEAZOFOLATE |
0.60 |
|
30.07 |
0.90 |
2-144 |
X-ray |
2.30 |
homo-dimer |
2 x FOL |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 1dhf.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 1dhf.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 1dhf.1 YPGVLSD---------------
|
|
5hsr.1.A |
Dihydrofolate reductase
Fluorine substituted 5-methyl-6-(3',4'-difluoromethoxyphenythio)thieno[2,3-d]pyrimidine-2,4-diamine |
0.61 |
|
30.07 |
0.90 |
2-144 |
X-ray |
1.21 |
monomer |
1 x NDP, 2 x 63Y |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 5hsr.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 5hsr.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 5hsr.1 YPGVLSD---------------
|
|
1pdb.1.A |
Dihydrofolate reductase
Analysis of Three Crystal Structure Determinations of a 5-Methyl-6-N-Methylanilino Pyridopyrimidine Antifolate Complex with Human Dihydrofolate Reductase |
0.60 |
|
30.07 |
0.90 |
2-144 |
X-ray |
2.20 |
monomer |
|
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 1pdb.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 1pdb.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 1pdb.1 YPGVLSD---------------
|
|
4g95.1.A |
Dihydrofolate reductase
hDHFR-OAG binary complex |
0.60 |
|
30.07 |
0.90 |
2-144 |
X-ray |
1.35 |
monomer |
1 x OAG |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 4g95.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 4g95.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 4g95.1 YPGVLSD---------------
|
|
3s7a.1.A |
Dihydrofolate reductase
Human dihydrofolate reductase binary complex with PT684 |
0.61 |
|
30.07 |
0.90 |
2-144 |
X-ray |
1.80 |
monomer |
1 x 684 |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 3s7a.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 3s7a.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 3s7a.1 YPGVLSD---------------
|
|
4keb.2.A |
Dihydrofolate reductase
Human dihydrofolate reductase complexed with NADPH and 5-{3-[3-methoxy-5-(isoquin-5-yl)phenyl]but-1-yn-1-yl}6-ethylpyrimidine-2,4-diamine |
0.60 |
|
30.07 |
0.90 |
2-144 |
X-ray |
1.45 |
monomer |
1 x NDP, 1 x FOL |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 4keb.2 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 4keb.2 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 4keb.2 YPGVLSD---------------
|
|
1drf.1.A |
DIHYDROFOLATE REDUCTASE
CRYSTAL STRUCTURE OF HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE |
0.60 |
|
30.07 |
0.90 |
2-144 |
X-ray |
2.00 |
monomer |
1 x FOL |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 1drf.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 1drf.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 1drf.1 YPGVLSD---------------
|
|
1ohk.1.A |
DIHYDROFOLATE REDUCTASE
HUMAN DIHYDROFOLATE REDUCTASE, ORTHORHOMBIC (P21 21 21) CRYSTAL FORM |
0.59 |
|
30.07 |
0.90 |
2-144 |
X-ray |
2.50 |
monomer |
1 x NDP, 1 x COP |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 1ohk.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 1ohk.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 1ohk.1 YPGVLSD---------------
|
|
1ohj.1.A |
DIHYDROFOLATE REDUCTASE
HUMAN DIHYDROFOLATE REDUCTASE, MONOCLINIC (P21) CRYSTAL FORM |
0.60 |
|
30.07 |
0.90 |
2-144 |
X-ray |
2.50 |
monomer |
1 x NDP, 1 x COP |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 1ohj.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 1ohj.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 1ohj.1 YPGVLSD---------------
|
|
1kmv.1.A |
DIHYDROFOLATE REDUCTASE
HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND (Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN-1-YL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE (SRI-9662), A LIPOPHILIC ANTIFOLATE |
0.60 |
|
30.07 |
0.90 |
2-144 |
X-ray |
1.05 |
monomer |
1 x LII, 1 x NDP |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 1kmv.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 1kmv.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 1kmv.1 YPGVLSD---------------
|
|
1yho.1.A |
Dihydrofolate reductase
Solution structure of human dihydrofolate reductase complexed with trimethoprim and nadph, 25 structures |
0.55 |
|
30.07 |
0.90 |
2-144 |
NMR |
0.00 |
monomer |
1 x NDP, 1 x TRR |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 1yho.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 1yho.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 1yho.1 YPGVLSD---------------
|
|
6vcj.1.A |
Dihydrofolate reductase
Crystal structure of hsDHFR in complex with NADP+, DAP, and R-naproxen |
0.61 |
|
30.07 |
0.90 |
2-144 |
X-ray |
2.34 |
monomer |
1 x LG3, 1 x NPX, 1 x NAP, 1 x FOL |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 6vcj.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 6vcj.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 6vcj.1 YPGVLSD---------------
|
|
7ese.1.A |
Dihydrofolate reductase
The Crystal Structure of human DHFR from Biortus |
0.60 |
|
30.07 |
0.90 |
2-144 |
X-ray |
1.85 |
monomer |
1 x NAP, 1 x FOL |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 7ese.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 7ese.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 7ese.1 YPGVLSD---------------
|
|
3f8z.1.A |
Dihydrofolate reductase
Human Dihydrofolate Reductase Structural Data with Active Site Mutant Enzyme Complexes |
0.60 |
|
30.07 |
0.90 |
2-144 |
X-ray |
2.01 |
monomer |
1 x DH1, 1 x NDP |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 3f8z.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFSRMTTTSSVEGKQNLVIMGKKTWFSIPEKSRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 3f8z.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 3f8z.1 YPGVLSD---------------
|
|
3ghc.1.A |
Dihydrofolate reductase
Design, Synthesis, and X-ray Crystal Structure of Classical and Nonclassical 2-amino-4-oxo-5-substituted-6-thieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors and as potential antitumor agenst |
0.61 |
|
30.07 |
0.90 |
2-144 |
X-ray |
1.30 |
monomer |
1 x GHC, 1 x NDP |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 3ghc.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFSRMTTTSSVEGKQNLVIMGKKTWFSIPEKSRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 3ghc.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 3ghc.1 YPGVLSD---------------
|
|
1hfq.1.A |
DIHYDROFOLATE REDUCTASE
COMPARISON OF TERNARY CRYSTAL COMPLEXES OF HUMAN DIHYDROFOLATE REDUCTASE WITH NADPH AND A CLASSICAL ANTITUMOR FUROPYRIMDINE |
0.60 |
|
30.07 |
0.90 |
2-144 |
X-ray |
2.10 |
monomer |
1 x NDP, 1 x MOT |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 1hfq.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNESRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 1hfq.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 1hfq.1 YPGVLSD---------------
|
|
3eig.1.A |
Dihydrofolate reductase
Crystal structure of a methotrexate-resistant mutant of human dihydrofolate reductase |
0.59 |
|
30.07 |
0.90 |
2-144 |
X-ray |
1.70 |
monomer |
1 x MTX, 1 x CD |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 3eig.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNERRYFERMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 3eig.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 3eig.1 YPGVLSD---------------
|
|
3f91.1.A |
Dihydrofolate reductase
Structural Data for Human Active Site Mutant Enzyme Complexes |
0.60 |
|
30.07 |
0.90 |
2-144 |
X-ray |
1.90 |
monomer |
1 x DH1, 1 x NDP |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESIG---KPLPNRRNVVLTSDTSF 3f91.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFSRMTTTSSVEGKQNLVIMGKKTWFSIPEKFRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 3f91.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 3f91.1 YPGVLSD---------------
|
|
3n0h.1.A |
Dihydrofolate reductase
hDHFR double mutant Q35S/N64F Trimethoprim Binary Complex |
0.59 |
|
30.07 |
0.90 |
2-144 |
X-ray |
1.92 |
monomer |
2 x TOP |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESIG---KPLPNRRNVVLTSDTSF 3n0h.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFSRMTTTSSVEGKQNLVIMGKKTWFSIPEKFRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 3n0h.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 3n0h.1 YPGVLSD---------------
|
|
1hfp.1.A |
DIHYDROFOLATE REDUCTASE
COMPARISON OF TERNARY CRYSTAL COMPLEXES OF HUMAN DIHYDROFOLATE REDUCTASE WITH NADPH AND A CLASSICAL ANTITUMOR FUROPYRIMDINE |
0.60 |
|
30.07 |
0.90 |
2-144 |
X-ray |
2.10 |
monomer |
1 x NDP, 1 x MOT |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 1hfp.1 -SLNCIVAVSQNMGIGKNGDLPWPPLRNEGRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 1hfp.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 1hfp.1 YPGVLSD---------------
|
|
1dlr.1.A |
DIHYDROFOLATE REDUCTASE
METHOTREXATE-RESISTANT VARIANTS OF HUMAN DIHYDROFOLATE REDUCTASE WITH SUBSTITUTION OF LEUCINE 22: KINETICS, CRYSTALLOGRAPHY AND POTENTIAL AS SELECTABLE MARKERS |
0.61 |
|
29.37 |
0.90 |
2-144 |
X-ray |
2.30 |
monomer |
1 x NDP, 1 x MXA |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 1dlr.1 -SLNCIVAVSQNMGIGKNGDFPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 1dlr.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 1dlr.1 YPGVLSD---------------
|
|
3k45.1.A |
Dihydrofolate reductase
Alternate Binding Modes Observed for the E- and Z-isomers of 2,4-Diaminofuro[2,3d]pyrimidines as Ternary Complexes with NADPH and Mouse Dihydrofolate Reductase |
0.59 |
|
32.39 |
0.89 |
3-144 |
X-ray |
1.60 |
monomer |
1 x NDP, 1 x 51P |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 3k45.1 --LNCIVAVSQNMGIGKNGDLPWPPLRNEFKYFQRMTTTSSVEGKQNLVIMGRKTWFSIPEKNRPLKDRINIVLSRELKE
target NVEGV--------DVIHSIE--DIYQLPGHVFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 3k45.1 PPRGAHFLAKSLDDALRLIEQPDLASKVDMVWIVGGSSVYQEAMNQPGHLRLFVTRIMQEFESDTFFPEIDLGKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 3k45.1 YPGVLSE---------------
|
|
1dls.1.A |
DIHYDROFOLATE REDUCTASE
METHOTREXATE-RESISTANT VARIANTS OF HUMAN DIHYDROFOLATE REDUCTASE WITH SUBSTITUTION OF LEUCINE 22: KINETICS, CRYSTALLOGRAPHY AND POTENTIAL AS SELECTABLE MARKERS |
0.61 |
|
29.37 |
0.90 |
2-144 |
X-ray |
2.30 |
monomer |
1 x NDP, 1 x MTX |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 1dls.1 -SLNCIVAVSQNMGIGKNGDYPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 1dls.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 1dls.1 YPGVLSD---------------
|
|
1u71.1.A |
Dihydrofolate reductase
Understanding the Role of Leu22 Variants in Methotrexate Resistance: Comparison of Wild-type and Leu22Arg Variant Mouse and Human Dihydrofolate Reductase Ternary Crystal Complexes with Methotrexate and NADPH |
0.60 |
|
29.37 |
0.90 |
2-144 |
X-ray |
2.20 |
monomer |
1 x MXA |
BLAST |
0.36 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 1u71.1 -SLNCIVAVSQNMGIGKNGDRPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 1u71.1 PPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 1u71.1 YPGVLSD---------------
|
|
3d84.1.A |
Dihydrofolate reductase
Structural Analysis of a Holo Enzyme Complex of Mouse Dihydrofolate Reductase with NADPH and a Ternary Complex with the Potent and Selective Inhibitor 2.4-Diamino-6-(-2'-hydroxydibenz[b,f]azepin-5-yl)methylpteridine |
0.61 |
|
31.69 |
0.89 |
3-144 |
X-ray |
1.90 |
monomer |
1 x NDP |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 3d84.1 --LNCIVAVSQNMGIGKNGDLPWPPLRNEFKYFQRMTTTSSVEGKQNLVIMGRKTWFSIPEKNRPLKDRINIVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 3d84.1 PPRGAHFLAKSLDDALRLIEQPELASKVDMVWIVGGSSVYQEAMNQPGHLRLFVTRIMQEFESDTFFPEIDLGKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 3d84.1 YPGVLSE---------------
|
|
1u70.1.A |
Dihydrofolate reductase
Understanding the Role of Leu22 Variants in Methotrexate Resistance: Comparison of Wild-type and Leu22Arg Variant Mouse and Human Dihydrofolate Reductase |
0.59 |
|
30.99 |
0.89 |
3-144 |
X-ray |
2.50 |
monomer |
1 x MTX, 1 x NDP |
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWH-LPNDLKHVKKLSTGHTL-------VMGRKTFESI---GKPLPNRRNVVLTSDTSF 1u70.1 --LNCIVAVSQNMGIGKNGDRPWPPLRNEFKYFQRMTTTSSVEGKQNLVIMGRKTWFSIPEKNRPLKDRINIVLSRELKE
target NVEGVDVI-HSIEDIYQLPGH---------VFIFGGQTLFEEMIDKVD--DMYITVIEGKFRGDTFFPPYTFEDWEVASS 1u70.1 PPRGAHFLAKSLDDALRLIEQPELASKVDMVWIVGGSSVYQEAMNQPGHLRLFVTRIMQEFESDTFFPEIDLGKYKLLPE
target VEGKLDEKNTIPHTFLHLIRKK 1u70.1 YPGVLSE---------------
|
|
1dis.1.A |
DIHYDROFOLATE REDUCTASE
DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEX WITH BRODIMOPRIM-4,6-DICARBOXYLATE |
0.65 |
|
38.81 |
0.84 |
4-137 |
NMR |
0.00 |
monomer |
1 x BDM |
BLAST |
0.40 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK-PLPNRRNVVLTSDTSFNVEGVDVIHS 1dis.1 ---AFLWAQDRDGLIGKDGHLPWHLPDDLHYFRAQTVGKIMVVGRRTYESFPKRPLPERTNVVLTHQEDYQAQGAVVVHD
target IEDIY----QLPGH-VFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 1dis.1 VAAVFAYAKQHPDQELVIAGGAQIFTAFKDDVDTLLVTRLAGSFEGDTKMIPLNWDDFTKVSS-----------------
target LIRKK 1dis.1 -----
|
|
2l28.1.A |
Dihydrofolate reductase
Solution structure of lactobacillus casei dihydrofolate reductase apo-form, 25 conformers |
0.56 |
|
38.81 |
0.84 |
4-137 |
NMR |
0.00 |
monomer |
|
BLAST |
0.40 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK-PLPNRRNVVLTSDTSFNVEGVDVIHS 2l28.1 ---AFLWAQDRDGLIGKDGHLPWHLPDDLHYFRAQTVGKIMVVGRRTYESFPKRPLPERTNVVLTHQEDYQAQGAVVVHD
target IEDIY----QLPGH-VFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 2l28.1 VAAVFAYAKQHPDQELVIAGGAQIFTAFKDDVDTLLVTRLAGSFEGDTKMIPLNWDDFTKVSS-----------------
target LIRKK 2l28.1 -----
|
|
2lf1.1.A |
Dihydrofolate reductase
Solution structure of L. casei dihydrofolate reductase complexed with NADPH, 30 structures |
0.60 |
|
38.81 |
0.84 |
4-137 |
NMR |
0.00 |
monomer |
1 x NDP |
BLAST |
0.40 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK-PLPNRRNVVLTSDTSFNVEGVDVIHS 2lf1.1 ---AFLWAQDRDGLIGKDGHLPWHLPDDLHYFRAQTVGKIMVVGRRTYESFPKRPLPERTNVVLTHQEDYQAQGAVVVHD
target IEDIY----QLPGH-VFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 2lf1.1 VAAVFAYAKQHPDQELVIAGGAQIFTAFKDDVDTLLVTRLAGSFEGDTKMIPLNWDDFTKVSS-----------------
target LIRKK 2lf1.1 -----
|
|
2hm9.1.A |
Dihydrofolate reductase
Solution structure of dihydrofolate reductase complexed with trimethoprim, 33 structures |
0.58 |
|
38.81 |
0.84 |
4-137 |
NMR |
0.00 |
monomer |
1 x TRR |
BLAST |
0.40 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK-PLPNRRNVVLTSDTSFNVEGVDVIHS 2hm9.1 ---AFLWAQDRDGLIGKDGHLPWHLPDDLHYFRAQTVGKIMVVGRRTYESFPKRPLPERTNVVLTHQEDYQAQGAVVVHD
target IEDIY----QLPGH-VFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 2hm9.1 VAAVFAYAKQHPDQELVIAGGAQIFTAFKDDVDTLLVTRLAGSFEGDTKMIPLNWDDFTKVSS-----------------
target LIRKK 2hm9.1 -----
|
|
1lud.1.A |
DIHYDROFOLATE REDUCTASE
SOLUTION STRUCTURE OF DIHYDROFOLATE REDUCTASE COMPLEXED WITH TRIMETHOPRIM AND NADPH, 24 STRUCTURES |
0.62 |
|
38.81 |
0.84 |
4-137 |
NMR |
0.00 |
monomer |
1 x NDP, 1 x TRR |
BLAST |
0.40 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK-PLPNRRNVVLTSDTSFNVEGVDVIHS 1lud.1 ---AFLWAQDRDGLIGKDGHLPWHLPDDLHYFRAQTVGKIMVVGRRTYESFPKRPLPERTNVVLTHQEDYQAQGAVVVHD
target IEDIY----QLPGH-VFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 1lud.1 VAAVFAYAKQHPDQELVIAGGAQIFTAFKDDVDTLLVTRLAGSFEGDTKMIPLNWDDFTKVSS-----------------
target LIRKK 1lud.1 -----
|
|
1bzf.1.A |
DIHYDROFOLATE REDUCTASE
NMR SOLUTION STRUCTURE AND DYNAMICS OF THE COMPLEX OF LACTOBACILLUS CASEI DIHYDROFOLATE REDUCTASE WITH THE NEW LIPOPHILIC ANTIFOLATE DRUG TRIMETREXATE, 22 STRUCTURES |
0.59 |
|
38.81 |
0.84 |
4-137 |
NMR |
0.00 |
monomer |
1 x TMQ |
BLAST |
0.40 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK-PLPNRRNVVLTSDTSFNVEGVDVIHS 1bzf.1 ---AFLWAQDRDGLIGKDGHLPWHLPDDLHYFRAQTVGKIMVVGRRTYESFPKRPLPERTNVVLTHQEDYQAQGAVVVHD
target IEDIY----QLPGH-VFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 1bzf.1 VAAVFAYAKQHPDQELVIAGGAQIFTAFKDDVDTLLVTRLAGSFEGDTKMIPLNWDDFTKVSS-----------------
target LIRKK 1bzf.1 -----
|
|
1ao8.1.A |
DIHYDROFOLATE REDUCTASE
DIHYDROFOLATE REDUCTASE COMPLEXED WITH METHOTREXATE, NMR, 21 STRUCTURES |
0.60 |
|
38.81 |
0.84 |
4-137 |
NMR |
0.00 |
monomer |
1 x MTX |
BLAST |
0.40 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK-PLPNRRNVVLTSDTSFNVEGVDVIHS 1ao8.1 ---AFLWAQDRDGLIGKDGHLPWHLPDDLHYFRAQTVGKIMVVGRRTYESFPKRPLPERTNVVLTHQEDYQAQGAVVVHD
target IEDIY----QLPGH-VFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 1ao8.1 VAAVFAYAKQHPDQELVIAGGAQIFTAFKDDVDTLLVTRLAGSFEGDTKMIPLNWDDFTKVSS-----------------
target LIRKK 1ao8.1 -----
|
|
2hqp.1.A |
Dihydrofolate reductase
Solution structure of L.casei dihydrofolate reductase complexed with NADPH, 32 structures |
0.54 |
|
38.81 |
0.84 |
4-137 |
NMR |
0.00 |
monomer |
1 x NDP |
BLAST |
0.40 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK-PLPNRRNVVLTSDTSFNVEGVDVIHS 2hqp.1 ---AFLWAQDRDGLIGKDGHLPWHLPDDLHYFRAQTVGKIMVVGRRTYESFPKRPLPERTNVVLTHQEDYQAQGAVVVHD
target IEDIY----QLPGH-VFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 2hqp.1 VAAVFAYAKQHPDQELVIAGGAQIFTAFKDDVDTLLVTRLAGSFEGDTKMIPLNWDDFTKVSS-----------------
target LIRKK 2hqp.1 -----
|
|
3dfr.1.A |
DIHYDROFOLATE REDUCTASE
CRYSTAL STRUCTURES OF ESCHERICHIA COLI AND LACTOBACILLUS CASEI DIHYDROFOLATE REDUCTASE REFINED AT 1.7 ANGSTROMS RESOLUTION. I. GENERAL FEATURES AND BINDING OF METHOTREXATE |
0.66 |
|
37.31 |
0.84 |
4-137 |
X-ray |
1.70 |
monomer |
1 x NDP, 1 x MTX |
BLAST |
0.40 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK-PLPNRRNVVLTSDTSFNVEGVDVIHS 3dfr.1 ---AFLWAQNRNGLIGKDGHLPWHLPDDLHYFRAQTVGKIMVVGRRTYESFPKRPLPERTNVVLTHQEDYQAQGAVVVHD
target IEDIY-----QLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 3dfr.1 VAAVFAYAKQHLDQELVIAGGAQIFTAFKDDVDTLLVTRLAGSFEGDTKMIPLNWDDFTKVSS-----------------
target LIRKK 3dfr.1 -----
|
|
6rum.1.A |
GFP-LAMA-G97 a GFP enhancer nanobody with cpDHFR insertion
Crystal structure of GFP-LAMA-G97 - a GFP enhancer nanobody with cpDHFR insertion and TMP and NADPH |
0.68 |
|
31.88 |
0.87 |
21-159 |
X-ray |
1.60 |
monomer |
1 x TOP, 1 x NDP |
HHblits |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 6rum.1 --------------------VNVGLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 6rum.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 6rum.1 RG
|
|
6cxm.1.A |
Dihydrofolate reductase
Crystal structure of a dihydrofolate reductase from Mycobacterium smegmatis in complex with NADP and P218 |
0.52 |
|
33.08 |
0.84 |
1-137 |
X-ray |
2.65 |
monomer |
1 x NAP, 1 x MMV |
BLAST |
0.40 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 6cxm.1 MSMRLIWAQSTSGIIGRDNSIPWRLPEDLARFKEMTMGHPVVMGRLTWESLPASVRPLPGRRNIVVTRDADYRAEGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVD-------DMYITVIEGKFRGDTFFPPY--TFEDWEVASSVEGKLDEKNTI 6cxm.1 TDLPD----EPDAWVIGGAQIYAMALARADRCEVTEVDIALTPLDGDARAPVLDDSWVATTGEWQTSTS-----------
target PHTFLHLIRKK 6cxm.1 -----------
|
|
7l9t.1.A |
Dihydrofolate reductase
Crystal Structure of Dihydrofolate reductase from Mycolicibacterium smegmatis in complex with SDDC-0001565 inhibitor |
0.50 |
|
33.08 |
0.84 |
1-137 |
X-ray |
1.80 |
monomer |
1 x QKJ |
BLAST |
0.40 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 7l9t.1 MSMRLIWAQSTSGIIGRDNSIPWRLPEDLARFKEMTMGHPVVMGRLTWESLPASVRPLPGRRNIVVTRDADYRAEGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVD-------DMYITVIEGKFRGDTFFPPY--TFEDWEVASSVEGKLDEKNTI 7l9t.1 TDLPD----EPDAWVIGGAQIYAMALARADRCEVTEVDIALTPLDGDARAPVLDDSWVATTGEWQTSTS-----------
target PHTFLHLIRKK 7l9t.1 -----------
|
|
4ixf.1.A |
Dihydrofolate reductase
pcDHFR-269 F69N variant |
0.54 |
|
35.82 |
0.84 |
2-136 |
X-ray |
1.70 |
monomer |
1 x NDP, 1 x IXF |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLS----------TGHTLVMGRKTFESI---GKPLPNRRNVVLTSDT 4ixf.1 -SLTLIVALTTSYGIGRSNSLPWKLKKEISYFKRVTSFVPTFDSFESMNVVLMGRKTWESIPLQNRPLKGRINVVITRNE
target SFNV-----EGVDVIHSIEDIYQLPG--------HVFIFGGQTLFEEMID--KVDDMYITVIEGKFRGDTFFPPYTFEDW 4ixf.1 SLDLGNGIHSAKSLDHALELLYRTYGSESSVQINRIFVIGGAQLYKAAMDHPKLDRIMATIIYKDIHCDVFF-PLKFRDK
target EVASSVEGKLDEKNTIPHTFLHLIRKK 4ixf.1 EWSS-----------------------
|
|
3jtw.1.A |
Dihydrofolate reductase
Crystal structure of Putative dihydrofolate reductase (YP_805003.1) from PEDIOCOCCUS PENTOSACEUS ATCC 25745 at 1.90 A resolution |
0.54 |
|
16.56 |
0.95 |
1-158 |
X-ray |
1.90 |
homo-dimer |
|
HHblits |
0.30 |
target MTLSILVAHDLQRVIGFE-NQLPWHL------PNDLKHVKKLSTGHTLVMGRKTFESIG-------KPLPNRRNVVLTSD 3jtw.1 RKVILFIAMSIDNYIADDQGAVDWLEKNVHGTESDDSYEKMYSKIDTVIMGRTTYEQVTQKLSPEKYVYADRQTYIVTSH
target TSFNVEGVD-VIHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYITVIEGKF-RGDTFFPPYT-FEDWEVAS 3jtw.1 LGEDTDKIKYWKQSPVELVKRIQKEKGKDVWIVGGAKIIDPLVQANLIDTYILTTVPIFLGSGIRLFDRLEEQVPVRLID
target SVEGKLDEKNTIPHTFLHLIRKK 3jtw.1 VYQK-------NELVYSIYQRG-
|
|
1vj3.1.A |
DIHYDROFOLATE REDUCTASE
STRUCTURAL STUDIES ON BIO-ACTIVE COMPOUNDS. CRYSTAL STRUCTURE AND MOLECULAR MODELING STUDIES ON THE PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COFACTOR COMPLEX WITH TAB, A HIGHLY SELECTIVE ANTIFOLATE. |
0.53 |
|
35.82 |
0.84 |
2-136 |
X-ray |
2.10 |
monomer |
1 x NDP, 1 x TAB |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLS----------TGHTLVMGRKTFESIG---KPLPNRRNVVLTSDT 1vj3.1 -SLTLIVALTTSYGIGRSNSLPWKLKKEISYFKRVTSFVPTFDSFESMNVVLMGRKTWESIPLQFRPLKGRINVVITRNE
target SFNV-----EGVDVIHSIEDIYQLPG--------HVFIFGGQTLFEEMID--KVDDMYITVIEGKFRGDTFFPPYTFEDW 1vj3.1 SLDLGNGIHSAKSLDHALELLYRTYGSESSVQINRIFVIGGAQLYKAAMDHPKLDRIMATIIYKDIHCDVFF-PLKFRDK
target EVASSVEGKLDEKNTIPHTFLHLIRKK 1vj3.1 EWSS-----------------------
|
|
2fzh.1.A |
Dihydrofolate reductase
New Insights into Dihydrofolate Reductase Interactions: Analysis of Pneumocystis carinii and Mouse DHFR Complexes with NADPH and Two Highly Potent Trimethoprim Derivatives |
0.53 |
|
35.82 |
0.84 |
2-136 |
X-ray |
2.10 |
monomer |
1 x NDP, 1 x DH1 |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLS----------TGHTLVMGRKTFESIG---KPLPNRRNVVLTSDT 2fzh.1 -SLTLIVALTTSYGIGRSNSLPWKLKKEISYFKRVTSFVPTFDSFESMNVVLMGRKTWESIPLQFRPLKGRINVVITRNE
target SFNV-----EGVDVIHSIEDIYQLPG--------HVFIFGGQTLFEEMID--KVDDMYITVIEGKFRGDTFFPPYTFEDW 2fzh.1 SLDLGNGIHSAKSLDHALELLYRTYGSESSVQINRIFVIGGAQLYKAAMDHPKLDRIMATIIYKDIHCDVFF-PLKFRDK
target EVASSVEGKLDEKNTIPHTFLHLIRKK 2fzh.1 EWSS-----------------------
|
|
1cd2.1.A |
DIHYDROFOLATE REDUCTASE
LIGAND INDUCED CONFORMATIONAL CHANGES IN THE CRYSTAL STRUCTURES OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COMPLEXES WITH FOLATE AND NADP+ |
0.54 |
|
35.82 |
0.84 |
2-136 |
X-ray |
2.20 |
monomer |
1 x NAP, 1 x FOL |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLS----------TGHTLVMGRKTFESIG---KPLPNRRNVVLTSDT 1cd2.1 -SLTLIVALTTSYGIGRSNSLPWKLKKEISYFKRVTSFVPTFDSFESMNVVLMGRKTWESIPLQFRPLKGRINVVITRNE
target SFNV-----EGVDVIHSIEDIYQLPG--------HVFIFGGQTLFEEMID--KVDDMYITVIEGKFRGDTFFPPYTFEDW 1cd2.1 SLDLGNGIHSAKSLDHALELLYRTYGSESSVQINRIFVIGGAQLYKAAMDHPKLDRIMATIIYKDIHCDVFF-PLKFRDK
target EVASSVEGKLDEKNTIPHTFLHLIRKK 1cd2.1 EWSS-----------------------
|
|
3cd2.1.A |
DIHYDROFOLATE REDUCTASE
LIGAND INDUCED CONFORMATIONAL CHANGES IN THE CRYSTAL STRUCTURES OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COMPLEXES WITH FOLATE AND NADP+ |
0.53 |
|
35.82 |
0.84 |
2-136 |
X-ray |
2.50 |
monomer |
1 x NAP, 1 x MTX |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLS----------TGHTLVMGRKTFESIG---KPLPNRRNVVLTSDT 3cd2.1 -SLTLIVALTTSYGIGRSNSLPWKLKKEISYFKRVTSFVPTFDSFESMNVVLMGRKTWESIPLQFRPLKGRINVVITRNE
target SFNV-----EGVDVIHSIEDIYQLPG--------HVFIFGGQTLFEEMID--KVDDMYITVIEGKFRGDTFFPPYTFEDW 3cd2.1 SLDLGNGIHSAKSLDHALELLYRTYGSESSVQINRIFVIGGAQLYKAAMDHPKLDRIMATIIYKDIHCDVFF-PLKFRDK
target EVASSVEGKLDEKNTIPHTFLHLIRKK 3cd2.1 EWSS-----------------------
|
|
4ixe.1.A |
Dihydrofolate reductase
pcDHFR-NADPH-270 |
0.54 |
|
35.82 |
0.84 |
2-136 |
X-ray |
1.54 |
monomer |
1 x IXE, 1 x NDP |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLS----------TGHTLVMGRKTFESIG---KPLPNRRNVVLTSDT 4ixe.1 -SLTLIVALTTSYGIGRSNSLPWKLKKEISYFKRVTSFVPTFDSFESMNVVLMGRKTWESIPLQFRPLKGRINVVITRNE
target SFNV-----EGVDVIHSIEDIYQLPG--------HVFIFGGQTLFEEMID--KVDDMYITVIEGKFRGDTFFPPYTFEDW 4ixe.1 SLDLGNGIHSAKSLDHALELLYRTYGSESSVQINRIFVIGGAQLYKAAMDHPKLDRIMATIIYKDIHCDVFF-PLKFRDK
target EVASSVEGKLDEKNTIPHTFLHLIRKK 4ixe.1 EWSS-----------------------
|
|
4qjz.1.A |
Dihydrofolate reductase
Pneumocystis carinii dihydrofolate reductase ternary complex with NADPH and the inhibitor 24, (N~6~-METHYL-N~6~-(NAPHTHALEN-1-YL)PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE) |
0.55 |
|
35.82 |
0.84 |
2-136 |
X-ray |
1.61 |
monomer |
1 x 33M, 1 x NDP |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLS----------TGHTLVMGRKTFESIG---KPLPNRRNVVLTSDT 4qjz.1 -SLTLIVALTTSYGIGRSNSLPWKLKKEISYFKRVTSFVPTFDSFESMNVVLMGRKTWESIPLQFRPLKGRINVVITRNE
target SFNV-----EGVDVIHSIEDIYQLPG--------HVFIFGGQTLFEEMID--KVDDMYITVIEGKFRGDTFFPPYTFEDW 4qjz.1 SLDLGNGIHSAKSLDHALELLYRTYGSESSVQINRIFVIGGAQLYKAAMDHPKLDRIMATIIYKDIHCDVFF-PLKFRDK
target EVASSVEGKLDEKNTIPHTFLHLIRKK 4qjz.1 EWSS-----------------------
|
|
1e26.1.A |
DIHYDROFOLATE REDUCTASE
Design, Synthesis and X-ray Crystal Structure of a Potent Dual Inhibitor of Thymidylate Synthase and Dihydrofolate Reductase as an Antitumor Agent. |
0.54 |
|
35.82 |
0.84 |
2-136 |
X-ray |
2.00 |
monomer |
1 x NAP, 1 x GPB |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLS----------TGHTLVMGRKTFESIG---KPLPNRRNVVLTSDT 1e26.1 -SLTLIVALTTSYGIGRSNSLPWKLKKEISYFKRVTSFVPTFDSFESMNVVLMGRKTWESIPLQFRPLKGRINVVITRNE
target SFNV-----EGVDVIHSIEDIYQLPG--------HVFIFGGQTLFEEMID--KVDDMYITVIEGKFRGDTFFPPYTFEDW 1e26.1 SLDLGNGIHSAKSLDHALELLYRTYGSESSVQINRIFVIGGAQLYKAAMDHPKLDRIMATIIYKDIHCDVFF-PLKFRDK
target EVASSVEGKLDEKNTIPHTFLHLIRKK 1e26.1 EWSS-----------------------
|
|
4cd2.1.A |
DIHYDROFOLATE REDUCTASE
LIGAND INDUCED CONFORMATIONAL CHANGES IN THE CRYSTAL STRUCTURES OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COMPLEXES WITH FOLATE AND NADP+ |
0.51 |
|
35.82 |
0.84 |
2-136 |
X-ray |
2.00 |
monomer |
1 x FOL |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLS----------TGHTLVMGRKTFESIG---KPLPNRRNVVLTSDT 4cd2.1 -SLTLIVALTTSYGIGRSNSLPWKLKKEISYFKRVTSFVPTFDSFESMNVVLMGRKTWESIPLQFRPLKGRINVVITRNE
target SFNV-----EGVDVIHSIEDIYQLPG--------HVFIFGGQTLFEEMID--KVDDMYITVIEGKFRGDTFFPPYTFEDW 4cd2.1 SLDLGNGIHSAKSLDHALELLYRTYGSESSVQINRIFVIGGAQLYKAAMDHPKLDRIMATIIYKDIHCDVFF-PLKFRDK
target EVASSVEGKLDEKNTIPHTFLHLIRKK 4cd2.1 EWSS-----------------------
|
|
1s3y.1.A |
Dihydrofolate reductase
Structure Determination of Tetrahydroquinazoline Antifolates in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry |
0.53 |
|
35.82 |
0.84 |
2-136 |
X-ray |
2.25 |
monomer |
1 x NAP, 1 x TQT |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLS----------TGHTLVMGRKTFESIG---KPLPNRRNVVLTSDT 1s3y.1 -SLTLIVALTTSYGIGRSNSLPWKLKKEISYFKRVTSFVPTFDSFESMNVVLMGRKTWESIPLQFRPLKGRINVVITRNE
target SFNV-----EGVDVIHSIEDIYQLPG--------HVFIFGGQTLFEEMID--KVDDMYITVIEGKFRGDTFFPPYTFEDW 1s3y.1 SLDLGNGIHSAKSLDHALELLYRTYGSESSVQINRIFVIGGAQLYKAAMDHPKLDRIMATIIYKDIHCDVFF-PLKFRDK
target EVASSVEGKLDEKNTIPHTFLHLIRKK 1s3y.1 EWSS-----------------------
|
|
1klk.1.A |
Dihydrofolate reductase
CRYSTAL STRUCTURE OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE TERNARY COMPLEX WITH PT653 AND NADPH |
0.53 |
|
35.82 |
0.84 |
2-136 |
X-ray |
2.30 |
monomer |
1 x PMD, 1 x NDP |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLS----------TGHTLVMGRKTFESIG---KPLPNRRNVVLTSDT 1klk.1 -SLTLIVALTTSYGIGRSNSLPWKLKKEISYFKRVTSFVPTFDSFESMNVVLMGRKTWESIPLQFRPLKGRINVVITRNE
target SFNV-----EGVDVIHSIEDIYQLPG--------HVFIFGGQTLFEEMID--KVDDMYITVIEGKFRGDTFFPPYTFEDW 1klk.1 SLDLGNGIHSAKSLDHALELLYRTYGSESSVQINRIFVIGGAQLYKAAMDHPKLDRIMATIIYKDIHCDVFF-PLKFRDK
target EVASSVEGKLDEKNTIPHTFLHLIRKK 1klk.1 EWSS-----------------------
|
|
8jsy.1.A |
Dihydrofolate reductase family protein
Dihydrofolate reductase-like enzyme from Leptospira interrogans |
0.56 |
|
17.11 |
0.96 |
1-158 |
X-ray |
2.55 |
homo-dimer |
2 x NAP |
HHblits |
0.29 |
target MTLSILVAHDLQRVIGFE-NQL----------PWHLPN----DLKHVKKLSTGHTLVMGRKTFESIGK----------PL 8jsy.1 RKITVLSFITLDGVMQAPGGPEEDTSGGFKYGGWTAPYEDEVSGKIMEKQMKPADYLLGRKTFEIFASYWPEHADFWPGI
target PNRRNVVLTSDTSFNV-EGVDVIHSIEDIY---Q-LPGHVFIFGGQTLFEEMID--KVDDMYITVIEGKF-RGDTFFPPY 8jsy.1 NDGTKYVMSKTVKKSDWKNSVFLESLADIKKLKNSEGSDIQVWGSGELIQLLFKNDLVDELWLKIFPVTLNTGKRLFGDG
target T-FEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 8jsy.1 TIPAAFTLIESSVTP------SGVIIANYKRA-
|
|
8jsy.3.A |
Dihydrofolate reductase family protein
Dihydrofolate reductase-like enzyme from Leptospira interrogans |
0.56 |
|
17.11 |
0.96 |
1-158 |
X-ray |
2.55 |
homo-dimer |
2 x NAP |
HHblits |
0.29 |
target MTLSILVAHDLQRVIGFE-NQL----------PWHLPN----DLKHVKKLSTGHTLVMGRKTFESIGK----------PL 8jsy.3 RKITVLSFITLDGVMQAPGGPEEDTSGGFKYGGWTAPYEDEVSGKIMEKQMKPADYLLGRKTFEIFASYWPEHADFWPGI
target PNRRNVVLTSDTSFNV-EGVDVIHSIEDIY---Q-LPGHVFIFGGQTLFEEMID--KVDDMYITVIEGKF-RGDTFFPPY 8jsy.3 NDGTKYVMSKTVKKSDWKNSVFLESLADIKKLKNSEGSDIQVWGSGELIQLLFKNDLVDELWLKIFPVTLNTGKRLFGDG
target T-FEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 8jsy.3 TIPAAFTLIESSVTP------SGVIIANYKRA-
|
|
8jsy.3.B |
Dihydrofolate reductase family protein
Dihydrofolate reductase-like enzyme from Leptospira interrogans |
0.56 |
|
17.11 |
0.96 |
1-158 |
X-ray |
2.55 |
homo-dimer |
2 x NAP |
HHblits |
0.29 |
target MTLSILVAHDLQRVIGFE-NQL----------PWHLPN----DLKHVKKLSTGHTLVMGRKTFESIGK----------PL 8jsy.3 RKITVLSFITLDGVMQAPGGPEEDTSGGFKYGGWTAPYEDEVSGKIMEKQMKPADYLLGRKTFEIFASYWPEHADFWPGI
target PNRRNVVLTSDTSFNV-EGVDVIHSIEDIY---Q-LPGHVFIFGGQTLFEEMID--KVDDMYITVIEGKF-RGDTFFPPY 8jsy.3 NDGTKYVMSKTVKKSDWKNSVFLESLADIKKLKNSEGSDIQVWGSGELIQLLFKNDLVDELWLKIFPVTLNTGKRLFGDG
target T-FEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 8jsy.3 TIPAAFTLIESSVTP------SGVIIANYKRA-
|
|
8jsy.2.B |
Dihydrofolate reductase family protein
Dihydrofolate reductase-like enzyme from Leptospira interrogans |
0.56 |
|
17.11 |
0.96 |
1-158 |
X-ray |
2.55 |
homo-dimer |
2 x NAP |
HHblits |
0.29 |
target MTLSILVAHDLQRVIGFE-NQL----------PWHLPN----DLKHVKKLSTGHTLVMGRKTFESIGK----------PL 8jsy.2 RKITVLSFITLDGVMQAPGGPEEDTSGGFKYGGWTAPYEDEVSGKIMEKQMKPADYLLGRKTFEIFASYWPEHADFWPGI
target PNRRNVVLTSDTSFNV-EGVDVIHSIEDIY---Q-LPGHVFIFGGQTLFEEMID--KVDDMYITVIEGKF-RGDTFFPPY 8jsy.2 NDGTKYVMSKTVKKSDWKNSVFLESLADIKKLKNSEGSDIQVWGSGELIQLLFKNDLVDELWLKIFPVTLNTGKRLFGDG
target T-FEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 8jsy.2 TIPAAFTLIESSVTP------SGVIIANYKRA-
|
|
8jsy.1.B |
Dihydrofolate reductase family protein
Dihydrofolate reductase-like enzyme from Leptospira interrogans |
0.55 |
|
17.11 |
0.96 |
1-158 |
X-ray |
2.55 |
homo-dimer |
2 x NAP |
HHblits |
0.29 |
target MTLSILVAHDLQRVIGFE-NQL----------PWHLPN----DLKHVKKLSTGHTLVMGRKTFESIGK----------PL 8jsy.1 RKITVLSFITLDGVMQAPGGPEEDTSGGFKYGGWTAPYEDEVSGKIMEKQMKPADYLLGRKTFEIFASYWPEHADFWPGI
target PNRRNVVLTSDTSFNV-EGVDVIHSIEDIY---Q-LPGHVFIFGGQTLFEEMID--KVDDMYITVIEGKF-RGDTFFPPY 8jsy.1 NDGTKYVMSKTVKKSDWKNSVFLESLADIKKLKNSEGSDIQVWGSGELIQLLFKNDLVDELWLKIFPVTLNTGKRLFGDG
target T-FEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 8jsy.1 TIPAAFTLIESSVTP------SGVIIANYKRA-
|
|
4ixg.1.A |
Dihydrofolate reductase
pcDHFR-268-K37S-N69F variant |
0.54 |
|
35.07 |
0.84 |
2-136 |
X-ray |
1.70 |
monomer |
1 x NDP, 1 x IXG |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLS----------TGHTLVMGRKTFESI---GKPLPNRRNVVLTSDT 4ixg.1 -SLTLIVALTTSYGIGRSNSLPWKLKKEISYFSRVTSFVPTFDSFESMNVVLMGRKTWESIPLQNRPLKGRINVVITRNE
target SFNV-----EGVDVIHSIEDIYQLPG--------HVFIFGGQTLFEEMID--KVDDMYITVIEGKFRGDTFFPPYTFEDW 4ixg.1 SLDLGNGIHSAKSLDHALELLYRTYGSESSVQINRIFVIGGAQLYKAAMDHPKLDRIMATIIYKDIHCDVFF-PLKFRDK
target EVASSVEGKLDEKNTIPHTFLHLIRKK 4ixg.1 EWSS-----------------------
|
|
3vco.1.A |
Dihydrofolate reductase
Schistosoma mansoni Dihydrofolate reductase |
0.55 |
|
36.03 |
0.86 |
1-139 |
X-ray |
1.95 |
monomer |
|
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG------HTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNV 3vco.1 MRLNVVVAVSENWGIGKGGGLPWKIKKDMEFFKTVTTKAHPGLKNAVVMGRVTWESIPESFKPLKDRINIVVSSTLSHAP
target EGVDVIHSI---------EDIYQLPGHVFIFGGQTLFEEMIDKV---DDMYITVIEGKFRGDTFFPPYTFEDWEVASSVE 3vco.1 SFVQVVPSLNAAIDLLYNEEFSSIVDEVFIIGGYRLYKEALKQSIYPVRIYCTHILSEVDCDTYFPKV---DWDKLKKVD
target GKLDEKNTIPHTFLHLIRKK 3vco.1 --------------------
|
|
3i3r.1.A |
Dihydrofolate reductase/thymidylate synthase
X-ray structure dihydrofolate reductase/thymidylate synthase from babesia bovis at 2.35A resolution |
0.53 |
|
44.88 |
0.80 |
3-130 |
X-ray |
2.35 |
homo-dimer |
|
BLAST |
0.43 |
target MTLSILVAHDLQRVIGFENQLPW-HLPNDLKHVKKLST-------------GHTLVMGRKTFESIGK---PLPNRRNVVL 3i3r.1 --LTIFVAVALNKVIGHKNQIPWPHITHDFRFLRNGTTYIPPEVLSKNPDIQNVVIFGRKTYESIPKASLPLKNRINVIL
target TSDTSFNVEGV----DVIHSIEDIYQLPGH--VFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFP--PYTFEDWE 3i3r.1 -SRTVKEVPGCLVYEDLSTAIRDLRANVPHNKIFILGGSFLYKEVLDNGLCDKIYLTRLNKEYPGDTYFPDIPDTFE---
target VASSVEGKLDEKNTIPHTFLHLIRKK 3i3r.1 --------------------------
|
|
3nrr.1.A |
Dihydrofolate reductase-thymidylate synthase
Co-crystal structure of dihydrofolate reductase-thymidylate synthase from Babesia bovis with dUMP, Raltitrexed and NADP |
0.55 |
|
44.88 |
0.80 |
3-130 |
X-ray |
1.80 |
homo-dimer |
2 x NAP, 4 x D16, 2 x UMP |
BLAST |
0.43 |
target MTLSILVAHDLQRVIGFENQLPW-HLPNDLKHVKKLST-------------GHTLVMGRKTFESIGK---PLPNRRNVVL 3nrr.1 --LTIFVAVALNKVIGHKNQIPWPHITHDFRFLRNGTTYIPPEVLSKNPDIQNVVIFGRKTYESIPKASLPLKNRINVIL
target TSDTSFNVEGV----DVIHSIEDIYQLPGH--VFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFP--PYTFEDWE 3nrr.1 -SRTVKEVPGCLVYEDLSTAIRDLRANVPHNKIFILGGSFLYKEVLDNGLCDKIYLTRLNKEYPGDTYFPDIPDTFE---
target VASSVEGKLDEKNTIPHTFLHLIRKK 3nrr.1 --------------------------
|
|
4g8z.1.A |
Dihydrofolate reductase
pcDHFR K37S/F69N double mutant TMP NADPH ternary complex |
0.55 |
|
34.33 |
0.84 |
2-136 |
X-ray |
1.75 |
monomer |
1 x TOP, 1 x NDP |
BLAST |
0.38 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLS----------TGHTLVMGRKTFESI---GKPLPNRRNVVLTSDT 4g8z.1 -SLTLIVALTTSYGIGRSNSLPWKLKKEISYFSRVTSFVPTFDSFESMNVVLMGRKTWESIPLQNRPLKGRINVVITRNA
target SFNV-----EGVDVIHSIEDIYQLPG--------HVFIFGGQTLFEEMID--KVDDMYITVIEGKFRGDTFFPPYTFEDW 4g8z.1 AAAAAAAIHSAKSLDHALELLYRTYGSESSVQINRIFVIGGAQLYKAAMDHPKLDRIMATIIYKDIHCDVFF-PLKFRDK
target EVASSVEGKLDEKNTIPHTFLHLIRKK 4g8z.1 EWSS-----------------------
|
|
3ky8.1.A |
Putative riboflavin biosynthesis protein
Crystal structure of Putative riboflavin biosynthesis protein (YP_001092907.1) from SHEWANELLA SP. PV-4 at 2.12 A resolution |
0.53 |
|
22.52 |
0.95 |
1-158 |
X-ray |
2.12 |
homo-dimer |
|
HHblits |
0.29 |
target MTLSILVAHDLQRVIG-FENQLPWHLPN-D----LKHVKKL-STGHTLVMGRKTFESIG----KPLPNRRNVVLTSDTSF 3ky8.1 MANIVFIATSLDGYIADKRGKLDWLHSVPNPNNVDTGFVALMERVDGLVMGRNTLDMVLSFDCDWPYSKPVFVLSNTMTE
target NV----EGVD-VIHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYITVIEGKF-RGDTFFPPYT-FEDWEVA 3ky8.1 VPQGYEDKVFLVKGKLVDIIADLNAKGFNELYIDGGVTI-QNFLKEDLIDEMVITRFPILLGGGVPLFGELESSLSFNVI
target SSVEGKLDEKNTIPHTFLHLIRKK 3ky8.1 KSEVVL------DSLTQTTYHRK-
|
|
3ky8.1.B |
Putative riboflavin biosynthesis protein
Crystal structure of Putative riboflavin biosynthesis protein (YP_001092907.1) from SHEWANELLA SP. PV-4 at 2.12 A resolution |
0.53 |
|
22.52 |
0.95 |
1-158 |
X-ray |
2.12 |
homo-dimer |
|
HHblits |
0.29 |
target MTLSILVAHDLQRVIG-FENQLPWHLPN-D----LKHVKKL-STGHTLVMGRKTFESIG----KPLPNRRNVVLTSDTSF 3ky8.1 MANIVFIATSLDGYIADKRGKLDWLHSVPNPNNVDTGFVALMERVDGLVMGRNTLDMVLSFDCDWPYSKPVFVLSNTMTE
target NV----EGVD-VIHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYITVIEGKF-RGDTFFPPYT-FEDWEVA 3ky8.1 VPQGYEDKVFLVKGKLVDIIADLNAKGFNELYIDGGVTI-QNFLKEDLIDEMVITRFPILLGGGVPLFGELESSLSFNVI
target SSVEGKLDEKNTIPHTFLHLIRKK 3ky8.1 KSEVVL------DSLTQTTYHRK-
|
|
6rul.1.A |
GFP-LAMA-F98 a GFP enhancer nanobody with cpDHFR insertion,Dihydrofolate reductase,GFP-LAMA-F98 a GFP enhancer nanobody with cpDHFR insertion,Dihydrofolate reductase,Dihydrofolate reductase,GFP-LAMA-F98 a GFP enhancer nanobody with cpDHFR insertion,Dihydrofolate reductase,GFP-LAMA-F98 a GFP enhancer nanobody with cpDHFR insertion
Crystal structure of GFP-LAMA-F98 - a GFP enhancer nanobody with cpDHFR insertion and TMP and NADPH |
0.66 |
|
34.59 |
0.84 |
25-158 |
X-ray |
2.20 |
monomer |
1 x TOP, 1 x NDP |
BLAST |
0.38 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 6rul.1 ------------------------LPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 6rul.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 6rul.1 R-
|
|
6rum.1.A |
GFP-LAMA-G97 a GFP enhancer nanobody with cpDHFR insertion
Crystal structure of GFP-LAMA-G97 - a GFP enhancer nanobody with cpDHFR insertion and TMP and NADPH |
0.66 |
|
34.59 |
0.84 |
25-158 |
X-ray |
1.60 |
monomer |
1 x TOP, 1 x NDP |
BLAST |
0.38 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 6rum.1 ------------------------LPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSV
target EDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 6rum.1 DEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILER
target KK 6rum.1 R-
|
|
7xh2.1.A |
Uncharacterized protein sfcH
Dihydrofolate Reductase-like Protein SacH in safracin biosynthesis |
0.55 |
|
18.42 |
0.96 |
1-158 |
X-ray |
2.80 |
monomer |
1 x NDP |
HHblits |
0.27 |
target MTLSILVAHDLQRVIGF-ENQLPWHL----PNDLKHVKKLST-GHTLVMGRKTFESIG------KPLPNRRNVVLTSDTS 7xh2.1 STLVYYVAATLDGYIATQQHKLDWLENFALGDDATAYDDFYQTIGAVVMGSQTYEWIMSNAPDDWPYQDVPAFVMSNRDL
target FN--VEGVDVI-HSIEDIYQ------LPGHVFIFGGQTLFEEMID--KVDDMYITVIEGKF-RGDTFFPPYTFEDWEVAS 7xh2.1 SAPANLDITFLRGDASAIAVRARQAAKGKNVWLVGGGKTAACFANAGELQQLFITTIPTFIGTGVPVLPVDRALEVVLRE
target SVEGKLDEKNTIPHTFLHLIRKK 7xh2.1 QRTLQ------SGAMECILDVK-
|
|
2ith.1.A |
Dihydrofolate reductase
NMR Structure of Haloferax volcanii DHFR |
0.51 |
|
29.85 |
0.84 |
1-134 |
NMR |
0.00 |
monomer |
|
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPW-HLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLT-SDTSFNVEGVDVIH 2ith.1 MELVSVAALAENRVIGRDGELPWPSIPADKKQYRSRVADDPVVLGRTTFESMRDDLPGSAQIVMSRSERSFSVDTAHRAA
target SIEDIYQLPGHV-----FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFL 2ith.1 SVEEAVDIAASLDAETAYVIGGAAIYALFQPHLDRMVLSRVPGEYEGDTYYPEWDAAEWEL-------------------
target HLIRKK 2ith.1 ------
|
|
2jyb.1.A |
Dihydrofolate reductase
binary hvDHFR1:folate complex |
0.50 |
|
29.85 |
0.84 |
1-134 |
NMR |
0.00 |
monomer |
|
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPW-HLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLT-SDTSFNVEGVDVIH 2jyb.1 MELVSVAALAENRVIGRDGELPWPSIPADKKQYRSRVADDPVVLGRTTFESMRDDLPGSAQIVMSRSERSFSVDTAHRAA
target SIEDIYQLPGHV-----FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFL 2jyb.1 SVEEAVDIAASLDAETAYVIGGAAIYALFQPHLDRMVLSRVPGEYEGDTYYPEWDAAEWEL-------------------
target HLIRKK 2jyb.1 ------
|
|
1vdr.1.A |
DIHYDROFOLATE REDUCTASE
DIHYDROFOLATE REDUCTASE |
0.60 |
|
29.85 |
0.84 |
1-134 |
X-ray |
2.55 |
homo-dimer |
|
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPW-HLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLT-SDTSFNVEGVDVIH 1vdr.1 MELVSVAALAENRVIGRDGELPWPSIPADKKQYRSRIADDPVVLGRTTFESMRDDLPGSAQIVMSRSERSFSVDTAHRAA
target SIEDIYQLPGHV-----FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFL 1vdr.1 SVEEAVDIAASLDAETAYVIGGAAIYALFQPHLDRMVLSRVPGEYEGDTYYPEWDAAEWEL-------------------
target HLIRKK 1vdr.1 ------
|
|
1vdr.1.B |
DIHYDROFOLATE REDUCTASE
DIHYDROFOLATE REDUCTASE |
0.59 |
|
29.85 |
0.84 |
1-134 |
X-ray |
2.55 |
homo-dimer |
|
BLAST |
0.37 |
target MTLSILVAHDLQRVIGFENQLPW-HLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLT-SDTSFNVEGVDVIH 1vdr.1 MELVSVAALAENRVIGRDGELPWPSIPADKKQYRSRIADDPVVLGRTTFESMRDDLPGSAQIVMSRSERSFSVDTAHRAA
target SIEDIYQLPGHV-----FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFL 1vdr.1 SVEEAVDIAASLDAETAYVIGGAAIYALFQPHLDRMVLSRVPGEYEGDTYYPEWDAAEWEL-------------------
target HLIRKK 1vdr.1 ------
|
|
2gd9.1.A |
Hypothetical protein yyaP
Crystal structure of a putative dihydrofolate reductase (bsu40760, yyap) from bacillus subtilis at 2.30 A resolution |
0.53 |
|
13.91 |
0.95 |
2-158 |
X-ray |
2.30 |
homo-dimer |
|
HHblits |
0.27 |
target MTLSILVAHDLQRVIGF-ENQLPWHLPNDLKHVKKLS-TGHTLVMGRKTFESIG--KP--------------LPNRRNVV 2gd9.1 -RIILDLAVTLDGFIEGKNGEVDWCIMDPDMGFTDFLNQIDTILYGRKSFDLWGQYIPKNEDPDTEKELWKLVHSKKKYV
target LTSDTSFNVEGVDV-IHSIEDIYQL-----PGHVFIFGGQTLFEEMID--KVDDMYITVIEGKF-RGDTFFPPYTF-EDW 2gd9.1 FSRTQNEIDNQAIFINDNILEEVNKLKKNPGKDIWLYGGASLITTFINLGLVDEFRLSIHPVVLGEGKPLFIDVKQRINL
target EVASSVEGKLDEKNTIPHTFLHLIRKK 2gd9.1 KMVNTRTF------SSGVVQIVYHWN-
|
|
2xw7.1.A |
DIHYDROFOLATE REDUCTASE
Structure of Mycobacterium smegmatis putative reductase MS0308 |
0.54 |
|
16.89 |
0.93 |
2-158 |
X-ray |
2.00 |
homo-dimer |
2 x NDP |
HHblits |
0.29 |
target MTLSILVAHDLQRVIGF-ENQLPWHLPND-----LKHVKKLS-TGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFN 2xw7.1 -KTVYYTASSLDGYIVDENQSLDWLTSRDITPDGPFGYEQFIETIGVLVMGASTYEWVVEHGDWSYDQPAWVLTHRPEIA
target --VEGVDVIH-SIEDIYQ------LPGHVFIFGGQTLFEEMID--KVDDMYITVIEGKF-RGDTFFPPYTFEDWEVASSV 2xw7.1 AESHPMQVFSGDVAELHPELVAAAGGKDVWVVGGGDVAAQFVAADLIDEIIVSYAPCTLGVGSRVLPMR--SEWVLDDCA
target EGKLDEKNTIPHTFLHLIRKK 2xw7.1 R-----NG--DFVCARWKRP-
|
|
3hj3.1.A |
Chain A, crystal structure of Dhfr
Crystal Structure of the ChTS-DHFR F207A Non-Active Site Mutant |
0.52 |
|
39.06 |
0.81 |
2-129 |
X-ray |
2.70 |
homo-dimer |
2 x UMP, 2 x CB3, 2 x MTX, 2 x NDP |
BLAST |
0.40 |
target MTLSILVAHD-LQRVIGFENQLPWHLPNDLKHVKKLSTG-------HTLVMGRKTFESIG-KPLPNRRNVVLTSDTSFNV 3hj3.1 -NVSIVVAASVLSSGIGINGQLPWSISEDLKFFSKITNNKCDSNKKNALIMGRKTWDSIGRRPLKNRIIVVISSSLPQDE
target EGVDVI------HSIEDIYQLPG--HVFIFGGQTLFEEMIDK--VDDMYIT-VIEGKFRGDTFFP--PYTFEDWEVASSV 3hj3.1 ADPNVVVFRNLEDSIENLMNDDSIENIFVCGGESIYRDALKDNFVDRIYLTRVALEDIEFDTYFPEIPETF---------
target EGKLDEKNTIPHTFLHLIRKK 3hj3.1 ---------------------
|
|
1qzf.2.A |
bifunctional dihydrofolate reductase-thymidylate synthase
Crystal structure of DHFR-TS from Cryptosporidium hominis |
0.52 |
|
39.06 |
0.81 |
2-129 |
X-ray |
2.80 |
homo-dimer |
2 x UMP, 2 x CB3, 2 x FOL, 2 x NDP |
BLAST |
0.40 |
target MTLSILVAHD-LQRVIGFENQLPWHLPNDLKHVKKLSTG-------HTLVMGRKTFESIG-KPLPNRRNVVLTSDTSFNV 1qzf.2 -NVSIVVAASVLSSGIGINGQLPWSISEDLKFFSKITNNKCDSNKKNALIMGRKTWDSIGRRPLKNRIIVVISSSLPQDE
target EGVDVI------HSIEDIYQLPG--HVFIFGGQTLFEEMIDK--VDDMYIT-VIEGKFRGDTFFP--PYTFEDWEVASSV 1qzf.2 ADPNVVVFRNLEDSIENLMNDDSIENIFVCGGESIYRDALKDNFVDRIYLTRVALEDIEFDTYFPEIPETF---------
target EGKLDEKNTIPHTFLHLIRKK 1qzf.2 ---------------------
|
|
6wep.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Crystal structure of TS-DHFR from Cryptosporidium hominis with Apo-TS site |
0.52 |
|
39.06 |
0.81 |
2-129 |
X-ray |
2.79 |
homo-dimer |
2 x NDP, 2 x MTX |
BLAST |
0.40 |
target MTLSILVAHD-LQRVIGFENQLPWHLPNDLKHVKKLSTG-------HTLVMGRKTFESIG-KPLPNRRNVVLTSDTSFNV 6wep.1 -NVSIVVAASVLSSGIGINGQLPWSISEDLKFFSKITNNKCDSNKKNALIMGRKTWDSIGRRPLKNRIIVVISSSLPQDE
target EGVDVI------HSIEDIYQLPG--HVFIFGGQTLFEEMIDK--VDDMYIT-VIEGKFRGDTFFP--PYTFEDWEVASSV 6wep.1 ADPNVVVFRNLEDSIENLMNDDSIENIFVCGGESIYRDALKDNFVDRIYLTRVALEDIEFDTYFPEIPETF---------
target EGKLDEKNTIPHTFLHLIRKK 6wep.1 ---------------------
|
|
3dl5.1.A |
Dihydrofolate reductase, DHFR
Crystal Structure of the A287F Active Site Mutant of TS-DHFR from Cryptosporidium hominis |
0.51 |
|
39.06 |
0.81 |
2-129 |
X-ray |
2.74 |
homo-dimer |
2 x UMP, 2 x CB3, 2 x DHF, 2 x NDP |
BLAST |
0.40 |
target MTLSILVAHD-LQRVIGFENQLPWHLPNDLKHVKKLSTG-------HTLVMGRKTFESIG-KPLPNRRNVVLTSDTSFNV 3dl5.1 -NVSIVVAASVLSSGIGINGQLPWSISEDLKFFSKITNNKCDSNKKNALIMGRKTWDSIGRRPLKNRIIVVISSSLPQDE
target EGVDVI------HSIEDIYQLPG--HVFIFGGQTLFEEMIDK--VDDMYIT-VIEGKFRGDTFFP--PYTFEDWEVASSV 3dl5.1 ADPNVVVFRNLEDSIENLMNDDSIENIFVCGGESIYRDALKDNFVDRIYLTRVALEDIEFDTYFPEIPETF---------
target EGKLDEKNTIPHTFLHLIRKK 3dl5.1 ---------------------
|
|
2oip.1.A |
Chain A, crystal structure of Dhfr
Crystal Structure of the S290G Active Site Mutant of TS-DHFR from Cryptosporidium hominis |
0.52 |
|
39.06 |
0.81 |
2-129 |
X-ray |
2.80 |
homo-dimer |
2 x UMP, 2 x CB3, 2 x MTX, 2 x NDP |
BLAST |
0.40 |
target MTLSILVAHD-LQRVIGFENQLPWHLPNDLKHVKKLSTG-------HTLVMGRKTFESIG-KPLPNRRNVVLTSDTSFNV 2oip.1 -NVSIVVAASVLSSGIGINGQLPWSISEDLKFFSKITNNKCDSNKKNALIMGRKTWDSIGRRPLKNRIIVVISSSLPQDE
target EGVDVI------HSIEDIYQLPG--HVFIFGGQTLFEEMIDK--VDDMYIT-VIEGKFRGDTFFP--PYTFEDWEVASSV 2oip.1 ADPNVVVFRNLEDSIENLMNDDSIENIFVCGGESIYRDALKDNFVDRIYLTRVALEDIEFDTYFPEIPETF---------
target EGKLDEKNTIPHTFLHLIRKK 2oip.1 ---------------------
|
|
3dl6.1.A |
Dihydrofolate reductase, DHFR
Crystal Structure of the A287F/S290G Active Site Mutant of TS-DHFR from Cryptosporidium hominis |
0.51 |
|
39.06 |
0.81 |
2-129 |
X-ray |
3.25 |
homo-dimer |
2 x UMP, 2 x CB3, 2 x DHF, 2 x NDP |
BLAST |
0.40 |
target MTLSILVAHD-LQRVIGFENQLPWHLPNDLKHVKKLSTG-------HTLVMGRKTFESIG-KPLPNRRNVVLTSDTSFNV 3dl6.1 -NVSIVVAASVLSSGIGINGQLPWSISEDLKFFSKITNNKCDSNKKNALIMGRKTWDSIGRRPLKNRIIVVISSSLPQDE
target EGVDVI------HSIEDIYQLPG--HVFIFGGQTLFEEMIDK--VDDMYIT-VIEGKFRGDTFFP--PYTFEDWEVASSV 3dl6.1 ADPNVVVFRNLEDSIENLMNDDSIENIFVCGGESIYRDALKDNFVDRIYLTRVALEDIEFDTYFPEIPETF---------
target EGKLDEKNTIPHTFLHLIRKK 3dl6.1 ---------------------
|
|
2p4g.1.A |
Hypothetical protein
CRYSTAL STRUCTURE OF A PYRIMIDINE REDUCTASE-LIKE PROTEIN (DIP1392) FROM CORYNEBACTERIUM DIPHTHERIAE NCTC AT 2.30 A RESOLUTION |
0.55 |
|
13.25 |
0.95 |
2-158 |
X-ray |
2.30 |
homo-dimer |
|
HHblits |
0.27 |
target MTLSILVAHDLQRVIGFENQLPW-HLPNDLKHVKKLS-TGHTLVMGRKTFESIG-----KP--L----------PNRRNV 2p4g.1 -ECRAIAITSINGSATLSGVSGPMGDQTDADLLIQLRGWADAIVVGAETARKENYGPVVLPHGIKNQRQKLGRCGLPKLT
target VLTSDTSFN--------------------------------------VEGVDVI------HSIEDIYQL-----PGHVFI 2p4g.1 LLSKSLYFDFSSELFSPDLPSELSPLVITQQPANNSEQWDQRLQKLIDVGVEVIVAPTSTNPLKIAFDALHARRLKKISI
target FGGQTLFEEMID--KVDDMYITVIEGKFR-G-DTFFPPYTF----EDWEVASSVEGKLDEKNTIPHTFLHLIRKK 2p4g.1 EGGPSVYRQALSLGIVDRLHLTIAPNIICPVESPLFGKISDDSFTTRLVLEMLSSS------PNGLIFSRYKVI-
|
|
4ky4.3.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Crystal structure of non-classical TS inhibitor 2 in complex with Toxoplasma gondii TS-DHFR |
0.54 |
|
36.43 |
0.81 |
3-131 |
X-ray |
2.79 |
homo-dimer |
2 x UMP, 2 x 04J, 2 x NDP, 2 x 1UE |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPW-HLPNDLKHVKKLS--------------------TG-------------HTLVMGRK 4ky4.3 --VCLVVAMTPKRGIGINNGLPWPHLTTDFKHFSRVTKTTPEEASRLNGWLPRKFAKTGDSGLPSPSVGKRFNAVVMGRK
target TFESIGK---PLPNRRNVVLTS-----DTSFNVEGVDVIHSIEDIYQLPG--------------HVFIFGGQTLFEEMID 4ky4.3 TWESMPRKFRPLVDRLNIVVSSSLKEEDIAAEKPQAEGQQRVRVCASLPAALSLLEEEYKDSVDQIFVVGGAGLYEAALS
target --KVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 4ky4.3 LGVASHLYITRVAREFPCDVFFPAFPGDD----------------------------
|
|
4eck.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Crystal Structure of the Toxoplasma gondii TS-DHFR |
0.50 |
|
36.43 |
0.81 |
3-131 |
X-ray |
3.52 |
homo-dimer |
2 x UMP, 2 x CB3, 2 x FOL, 2 x NDP |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPW-HLPNDLKHVKKLS--------------------TG-------------HTLVMGRK 4eck.1 --VCLVVAMTPKRGIGINNGLPWPHLTTDFKHFSRVTKTTPEEASRLNGWLPRKFAKTGDSGLPSPSVGKRFNAVVMGRK
target TFESIGK---PLPNRRNVVLTS-----DTSFNVEGVDVIHSIEDIYQLPG--------------HVFIFGGQTLFEEMID 4eck.1 TWESMPRKFRPLVDRLNIVVSSSLKEEDIAAEKPQAEGQQRVRVCASLPAALSLLEEEYKDSVDQIFVVGGAGLYEAALS
target --KVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 4eck.1 LGVASHLYITRVAREFPCDVFFPAFPGDD----------------------------
|
|
4eck.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Crystal Structure of the Toxoplasma gondii TS-DHFR |
0.50 |
|
36.43 |
0.81 |
3-131 |
X-ray |
3.52 |
homo-dimer |
2 x UMP, 2 x CB3, 2 x FOL, 2 x NDP |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPW-HLPNDLKHVKKLS--------------------TG-------------HTLVMGRK 4eck.1 --VCLVVAMTPKRGIGINNGLPWPHLTTDFKHFSRVTKTTPEEASRLNGWLPRKFAKTGDSGLPSPSVGKRFNAVVMGRK
target TFESIGK---PLPNRRNVVLTS-----DTSFNVEGVDVIHSIEDIYQLPG--------------HVFIFGGQTLFEEMID 4eck.1 TWESMPRKFRPLVDRLNIVVSSSLKEEDIAAEKPQAEGQQRVRVCASLPAALSLLEEEYKDSVDQIFVVGGAGLYEAALS
target --KVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 4eck.1 LGVASHLYITRVAREFPCDVFFPAFPGDD----------------------------
|
|
7fgx.2.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Toxoplasma gondii dihydrofolate reductase thymidylate synthase (TgDHFR-TS) complexed with P39, NADPH and dUMP |
0.54 |
|
36.43 |
0.81 |
3-131 |
X-ray |
2.05 |
homo-dimer |
2 x NDP, 2 x 4RI, 2 x UMP |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPW-HLPNDLKHVKKLS--------------------TG-------------HTLVMGRK 7fgx.2 --VCLVVAMTPKRGIGINNGLPWPHLTTDFKHFSRVTKTTPEEASRLNGWLPRKFAKTGDSGLPSPSVGKRFNAVVMGRK
target TFESIGK---PLPNRRNVVLTS-----DTSFNVEGVDVIHSIEDIYQLPG--------------HVFIFGGQTLFEEMID 7fgx.2 TWESMPRKFRPLVDRLNIVVSSSLKEEDIAAEKPQAEGQQRVRVCASLPAALSLLEEEYKDSVDQIFVVGGAGLYEAALS
target --KVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 7fgx.2 LGVASHLYITRVAREFPCDVFFPAFPGDD----------------------------
|
|
7fgy.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Toxoplasma gondii dihydrofolate reductase thymidylate synthase (TgDHFR-TS) complexed with P40, NADPH and dUMP |
0.54 |
|
36.43 |
0.81 |
3-131 |
X-ray |
2.67 |
homo-dimer |
2 x NDP, 2 x 4TS, 2 x UMP |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPW-HLPNDLKHVKKLS--------------------TG-------------HTLVMGRK 7fgy.1 --VCLVVAMTPKRGIGINNGLPWPHLTTDFKHFSRVTKTTPEEASRLNGWLPRKFAKTGDSGLPSPSVGKRFNAVVMGRK
target TFESIGK---PLPNRRNVVLTS-----DTSFNVEGVDVIHSIEDIYQLPG--------------HVFIFGGQTLFEEMID 7fgy.1 TWESMPRKFRPLVDRLNIVVSSSLKEEDIAAEKPQAEGQQRVRVCASLPAALSLLEEEYKDSVDQIFVVGGAGLYEAALS
target --KVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 7fgy.1 LGVASHLYITRVAREFPCDVFFPAFPGDD----------------------------
|
|
7fgy.2.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Toxoplasma gondii dihydrofolate reductase thymidylate synthase (TgDHFR-TS) complexed with P40, NADPH and dUMP |
0.53 |
|
36.43 |
0.81 |
3-131 |
X-ray |
2.67 |
homo-dimer |
2 x NDP, 2 x 4TS, 2 x UMP |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPW-HLPNDLKHVKKLS--------------------TG-------------HTLVMGRK 7fgy.2 --VCLVVAMTPKRGIGINNGLPWPHLTTDFKHFSRVTKTTPEEASRLNGWLPRKFAKTGDSGLPSPSVGKRFNAVVMGRK
target TFESIGK---PLPNRRNVVLTS-----DTSFNVEGVDVIHSIEDIYQLPG--------------HVFIFGGQTLFEEMID 7fgy.2 TWESMPRKFRPLVDRLNIVVSSSLKEEDIAAEKPQAEGQQRVRVCASLPAALSLLEEEYKDSVDQIFVVGGAGLYEAALS
target --KVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 7fgy.2 LGVASHLYITRVAREFPCDVFFPAFPGDD----------------------------
|
|
7r6g.1.A |
Dihydrofolate reductase type 5
Crystal structure of DfrA5 dihydrofolate reductase in complex with TRIMETHOPRIM and NADPH |
0.58 |
|
37.21 |
0.81 |
1-130 |
X-ray |
2.61 |
homo-dimer |
2 x TOP, 2 x NDP |
BLAST |
0.38 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLT-SDTSFNVEGVDVIHS 7r6g.1 MKVSLMAAKAKNGVIGCGPHIPWSAKGEQLLFKALTYNQWLLVGRKTFESMGA-LPNRKYAVVTRSAWTADNDNVIVFPS
target IED----IYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFP--PYTFEDWEVASSVEGKLDEKNTIPHTFL 7r6g.1 IEEAMYGLAELTDHVIVSGGGEIYRETLPMASTLHISTIDIEPEGDVFFPNIPNTFE-----------------------
target HLIRKK 7r6g.1 ------
|
|
5dxv.1.A |
rethreaded DHFR
Crystal structure of Rethreaded DHFR |
0.55 |
|
29.01 |
0.82 |
1-134 |
X-ray |
1.55 |
monomer |
1 x NAP |
HHblits |
0.36 |
target MTLSILVAHDLQRVIGFENQ-----LPW------------HLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVL 5dxv.1 MAISLIAALAVDRVIGDTHFPDYEPDDWESVFSEFHDADAQNPADLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIIL
target TSDTSFNVEGVDVIHSIEDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEG 5dxv.1 SSQPGTD-DRVTWVKSVDEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDA--EGHSYCFEILERRLEH------
target KLDEKNTIPHTFLHLIRKK 5dxv.1 -------------------
|
|
5dxv.2.A |
rethreaded DHFR
Crystal structure of Rethreaded DHFR |
0.57 |
|
29.01 |
0.82 |
1-134 |
X-ray |
1.55 |
monomer |
|
HHblits |
0.36 |
target MTLSILVAHDLQRVIGFENQ-----LPW------------HLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVL 5dxv.2 MAISLIAALAVDRVIGDTHFPDYEPDDWESVFSEFHDADAQNPADLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIIL
target TSDTSFNVEGVDVIHSIEDIYQL---PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEG 5dxv.2 SSQPGTD-DRVTWVKSVDEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDA--EGHSYCFEILERRLEH------
target KLDEKNTIPHTFLHLIRKK 5dxv.2 -------------------
|
|
7rgj.1.B |
Dihydrofolate reductase type 1
DfrA1 complexed with NADPH and 5-(3-(7-(4-(aminomethyl)phenyl)benzo[d][1,3]dioxol-5-yl)but-1-yn-1-yl)-6-ethylpyrimidine-2,4-diamine (UCP1223) |
0.58 |
|
37.10 |
0.78 |
1-125 |
X-ray |
1.44 |
homo-dimer |
2 x NAP, 2 x CA, 2 x 8MU, 1 x 560 |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLT-SDTSFNVEGVDVIHS 7rgj.1 MKLSLMVAISKNGVIGNGPDIPWSAKGEQLLFKAITYNQWLLVGRKTFESMGA-LPNRKYAVVTRSSFTSDNENVLIFPS
target IED----IYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHL 7rgj.1 IKDALTNLKKITDHVIVSGGGEIYKSLIDQVDTLHISTIDIEPEGDVYFP------------------------------
target IRKK 7rgj.1 ----
|
|
7myl.1.A |
Dihydrofolate reductase
Crystal structure of DfrA1 dihydrofolate reductase in complex with TRIMETHOPRIM |
0.55 |
|
37.10 |
0.78 |
1-125 |
X-ray |
2.15 |
homo-dimer |
2 x TOP |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLT-SDTSFNVEGVDVIHS 7myl.1 MKLSLMVAISKNGVIGNGPDIPWSAKGEQLLFKAITYNQWLLVGRKTFESMGA-LPNRKYAVVTRSSFTSDNENVLIFPS
target IED----IYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHL 7myl.1 IKDALTNLKKITDHVIVSGGGEIYKSLIDQVDTLHISTIDIEPEGDVYFP------------------------------
target IRKK 7myl.1 ----
|
|
7k6c.1.A |
Dihydrofolate reductase
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium abscessus ATCC 19977 / DSM 44196 with NADP and inhibitor P218 |
0.63 |
|
33.06 |
0.78 |
2-125 |
X-ray |
2.00 |
monomer |
1 x NAP, 1 x MMV, 1 x CA |
BLAST |
0.38 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 7k6c.1 -TIGLIWAQTRAGVIGADGAIPWRLPEDQARFKRITMGHTVIMGRKTWESLPGSVRPLPGRPNIVLTRDALFEPDGALAV
target HSIEDIYQLPGHV-FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLI 7k6c.1 GSADAALAASDEAPWVIGGGEIYRLFLPLAQRCEVTVVEADVPGDALAP-------------------------------
target RKK 7k6c.1 ---
|
|
1juv.1.A |
DIHYDROFOLATE REDUCTASE
Crystal structure analysis of Dihydrofolate reductase from Bacteriophage T4 |
0.49 |
|
21.64 |
0.84 |
2-136 |
X-ray |
1.70 |
homo-dimer |
2 x NDP |
HHblits |
0.32 |
target MTLSILVAHDL--------QRVIGFENQLPWH-LPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSF-N 1juv.1 -MIKLVFRYSPTKTVDGFNELAFGLGDGLPWGRVKKDLQNFKARTEGTIMIMGAKTFQSLPTLLPGRSHIVVCDLARDYP
target V---------------------EGVDVIHSIEDIYQL----PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFP 1juv.1 VTKDGDLAHFYITWEQYITYISGGEIQVSSPNAPFETMLDQNSKVSVIGGPALLYAALPYADEVVVSRIVKRHRVNSTV-
target PYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 1juv.1 QLDASFLDDIS-----------------------
|
|
7zzx.1.A |
Dihydrofolate reductase
Crystal structure of Candida auris DHFR in apo form |
0.38 |
|
37.82 |
0.75 |
15-135 |
X-ray |
2.40 |
monomer |
|
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLST----GH--TLVMGRKTFESIG---KPLPNRRNVVLT--SDTSF 7zzx.1 --------------IGAKGSLPWRLKNEMKYFKDVTSKAKDGHINAVVMGRKTWELIPERFRPLAGRLNVILSRKNDDLI
target NVEGVDVIHSIEDIYQ-----------LP-GHVFIFGGQTLFEEMI--DKVDDMYITVIEGKFRGDTFFPPY--TFEDWE 7zzx.1 DSNGVYHFSSFDSVMKHLEKDSFRFKDMPLDKIFIIGGSQIYNLLILDSRVDNLLVTQVH--FVGEDADKPQMDTFLDWD
target VASSVEGKLDEKNTIPHTFLHLIRKK 7zzx.1 LS------------------------
|
|
8a0z.1.A |
Dihydrofolate reductase
Crystal structure of Candida auris dihydrofolate reductase complexed with NADPH and pyrimethamine |
0.40 |
|
37.82 |
0.75 |
15-135 |
X-ray |
1.70 |
monomer |
1 x NDP, 1 x CP6 |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLST----GH--TLVMGRKTFESIG---KPLPNRRNVVLT--SDTSF 8a0z.1 --------------IGAKGSLPWRLKNEMKYFKDVTSKAKDGHINAVVMGRKTWELIPERFRPLAGRLNVILSRKNDDLI
target NVEGVDVIHSIEDIYQ-----------LP-GHVFIFGGQTLFEEMI--DKVDDMYITVIEGKFRGDTFFPPY--TFEDWE 8a0z.1 DSNGVYHFSSFDSVMKHLEKDSFRFKDMPLDKIFIIGGSQIYNLLILDSRVDNLLVTQVH--FVGEDADKPQMDTFLDWD
target VASSVEGKLDEKNTIPHTFLHLIRKK 8a0z.1 LS------------------------
|
|
8a0z.2.A |
Dihydrofolate reductase
Crystal structure of Candida auris dihydrofolate reductase complexed with NADPH and pyrimethamine |
0.40 |
|
37.82 |
0.75 |
15-135 |
X-ray |
1.70 |
monomer |
1 x NDP, 1 x CP6 |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLST----GH--TLVMGRKTFESIG---KPLPNRRNVVLT--SDTSF 8a0z.2 --------------IGAKGSLPWRLKNEMKYFKDVTSKAKDGHINAVVMGRKTWELIPERFRPLAGRLNVILSRKNDDLI
target NVEGVDVIHSIEDIYQ-----------LP-GHVFIFGGQTLFEEMI--DKVDDMYITVIEGKFRGDTFFPPY--TFEDWE 8a0z.2 DSNGVYHFSSFDSVMKHLEKDSFRFKDMPLDKIFIIGGSQIYNLLILDSRVDNLLVTQVH--FVGEDADKPQMDTFLDWD
target VASSVEGKLDEKNTIPHTFLHLIRKK 8a0z.2 LS------------------------
|
|
8crh.1.A |
Dihydrofolate reductase
Crystal structure of Candida auris dihydrofolate reductase complexed with NADPH and cycloguanil |
0.40 |
|
37.82 |
0.75 |
15-135 |
X-ray |
1.30 |
homo-dimer |
4 x VIL, 2 x NDP |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLST----GH--TLVMGRKTFESIG---KPLPNRRNVVLT--SDTSF 8crh.1 --------------IGAKGSLPWRLKNEMKYFKDVTSKAKDGHINAVVMGRKTWELIPERFRPLAGRLNVILSRKNDDLI
target NVEGVDVIHSIEDIYQ-----------LP-GHVFIFGGQTLFEEMI--DKVDDMYITVIEGKFRGDTFFPPY--TFEDWE 8crh.1 DSNGVYHFSSFDSVMKHLEKDSFRFKDMPLDKIFIIGGSQIYNLLILDSRVDNLLVTQVH--FVGEDADKPQMDTFLDWD
target VASSVEGKLDEKNTIPHTFLHLIRKK 8crh.1 LS------------------------
|
|
8crh.1.B |
Dihydrofolate reductase
Crystal structure of Candida auris dihydrofolate reductase complexed with NADPH and cycloguanil |
0.40 |
|
37.82 |
0.75 |
15-135 |
X-ray |
1.30 |
homo-dimer |
4 x VIL, 2 x NDP |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLST----GH--TLVMGRKTFESIG---KPLPNRRNVVLT--SDTSF 8crh.1 --------------IGAKGSLPWRLKNEMKYFKDVTSKAKDGHINAVVMGRKTWELIPERFRPLAGRLNVILSRKNDDLI
target NVEGVDVIHSIEDIYQ-----------LP-GHVFIFGGQTLFEEMI--DKVDDMYITVIEGKFRGDTFFPPY--TFEDWE 8crh.1 DSNGVYHFSSFDSVMKHLEKDSFRFKDMPLDKIFIIGGSQIYNLLILDSRVDNLLVTQVH--FVGEDADKPQMDTFLDWD
target VASSVEGKLDEKNTIPHTFLHLIRKK 8crh.1 LS------------------------
|
|
8a0n.1.A |
Dihydrofolate reductase
Crystal structure of Candida auris dihydrofolate reductase complexed with NADPH |
0.38 |
|
37.82 |
0.75 |
15-135 |
X-ray |
1.40 |
monomer |
1 x NDP |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLST----GH--TLVMGRKTFESIG---KPLPNRRNVVLT--SDTSF 8a0n.1 --------------IGAKGSLPWRLKNEMKYFKDVTSKAKDGHINAVVMGRKTWELIPERFRPLAGRLNVILSRKNDDLI
target NVEGVDVIHSIEDIYQ-----------LP-GHVFIFGGQTLFEEMI--DKVDDMYITVIEGKFRGDTFFPPY--TFEDWE 8a0n.1 DSNGVYHFSSFDSVMKHLEKDSFRFKDMPLDKIFIIGGSQIYNLLILDSRVDNLLVTQVH--FVGEDADKPQMDTFLDWD
target VASSVEGKLDEKNTIPHTFLHLIRKK 8a0n.1 LS------------------------
|
|
8e4f.1.A |
Dihydrofolate reductase
Crystal structure of dihydrofolate reductase (DHFR) from the filarial nematode W. bancrofti in complex with NADPH and folate |
0.58 |
|
37.40 |
0.77 |
3-125 |
X-ray |
2.47 |
monomer |
1 x NAP, 1 x FOL |
BLAST |
0.38 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLST-------GHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFN 8e4f.1 --MNLIVAVDGCGGIGRNGGMPWFLPAEMARFAKLTTLTTDSGKKNAVIMGRKVWESIPPKFRPLKSRFNVVLSKKMKEE
target V-EGVDVIHSIEDIYQLPGH------VFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGK 8e4f.1 SNENVVVARSFESAVSLLQDMENIETIWNIGGREVYELGLNSPFLHQMYITRVEGDFLADVFFP----------------
target LDEKNTIPHTFLHLIRKK 8e4f.1 ------------------
|
|
6uww.1.A |
Dihydrofolate reductase
Crystal structure of dihydrofolate reductase from Mycobacterium ulcerans with P218 inhibitor |
0.58 |
|
35.29 |
0.75 |
2-126 |
X-ray |
0.92 |
monomer |
1 x MMV, 1 x NAP |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 6uww.1 -SVGLIWAQSTSGVIGRDGGIPWRLPEDLAHFKRLTMGHTVVMGRRTWDSLPAAHRPLPGRRNVVVTRQTGLVAHGAQVV
target HSIEDIYQLP---GHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 6uww.1 GSLEQALSPAEPDAETWVIGGAQIYALALPLANRCEVTEV------DVDLPP----------------------------
target LIRKK 6uww.1 -----
|
|
7km7.1.A |
Dihydrofolate reductase
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001914, tetragonal crystal from |
0.58 |
|
35.29 |
0.75 |
2-126 |
X-ray |
1.80 |
monomer |
1 x NAP, 1 x WPD, 1 x BR |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 7km7.1 -SVGLIWAQSTSGVIGRDGGIPWRLPEDLAHFKRLTMGHTVVMGRRTWDSLPAAHRPLPGRRNVVVTRQTGLVAHGAQVV
target HSIEDIYQLP---GHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 7km7.1 GSLEQALSPAEPDAETWVIGGAQIYALALPLANRCEVTEV------DVDLPP----------------------------
target LIRKK 7km7.1 -----
|
|
1ia2.2.A |
DIHYDROFOLATE REDUCTASE
Candida albicans dihydrofolate reductase complexed with dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH) and 5-[(4-METHYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE (GW578) |
0.45 |
|
38.46 |
0.74 |
15-132 |
X-ray |
1.82 |
monomer |
1 x NDP, 1 x TQ4, 1 x MES |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHT-------LVMGRKTFESIG---KPLPNRRNVVLTSDTSFN 1ia2.2 --------------IGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWESIPQKFRPLPDRLNIILSRSYENE
target VEGVDVIH--SIEDIYQLPG---HVFIFGGQTLFEEMIDK--VDDMYITVIE----GKFRGDTFFPPYTFEDWEVASSVE 1ia2.2 IIDDNIIHASSIESSLNLVSDVERVFIIGGAEIYNELINNSLVSHLLITEIEHPSPESIEMDTFL-KFPLESW-------
target GKLDEKNTIPHTFLHLIRKK 1ia2.2 --------------------
|
|
1ia2.1.A |
DIHYDROFOLATE REDUCTASE
Candida albicans dihydrofolate reductase complexed with dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH) and 5-[(4-METHYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE (GW578) |
0.43 |
|
38.46 |
0.74 |
15-132 |
X-ray |
1.82 |
monomer |
1 x NDP, 1 x TQ4, 1 x MES |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHT-------LVMGRKTFESIG---KPLPNRRNVVLTSDTSFN 1ia2.1 --------------IGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWESIPQKFRPLPDRLNIILSRSYENE
target VEGVDVIH--SIEDIYQLPG---HVFIFGGQTLFEEMIDK--VDDMYITVIE----GKFRGDTFFPPYTFEDWEVASSVE 1ia2.1 IIDDNIIHASSIESSLNLVSDVERVFIIGGAEIYNELINNSLVSHLLITEIEHPSPESIEMDTFL-KFPLESW-------
target GKLDEKNTIPHTFLHLIRKK 1ia2.1 --------------------
|
|
3qlw.1.A |
Putative uncharacterized protein CaJ7.0360
Candida albicans dihydrofolate reductase complexed with NADPH and 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine (UCP120B) |
0.43 |
|
38.46 |
0.74 |
15-132 |
X-ray |
2.50 |
monomer |
1 x NDP, 1 x N22 |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHT-------LVMGRKTFESIG---KPLPNRRNVVLTSDTSFN 3qlw.1 --------------IGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWESIPQKFRPLPDRLNIILSRSYENE
target VEGVDVIH--SIEDIYQLPG---HVFIFGGQTLFEEMIDK--VDDMYITVIE----GKFRGDTFFPPYTFEDWEVASSVE 3qlw.1 IIDDNIIHASSIESSLNLVSDVERVFIIGGAEIYNELINNSLVSHLLITEIEHPSPESIEMDTFL-KFPLESW-------
target GKLDEKNTIPHTFLHLIRKK 3qlw.1 --------------------
|
|
3qls.1.A |
Putative uncharacterized protein CaJ7.0360
Candida albicans dihydrofolate reductase complexed with NADPH and 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP115A) |
0.45 |
|
38.46 |
0.74 |
15-132 |
X-ray |
1.73 |
monomer |
1 x NDP, 1 x 55V, 1 x GLY |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHT-------LVMGRKTFESIG---KPLPNRRNVVLTSDTSFN 3qls.1 --------------IGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWESIPQKFRPLPDRLNIILSRSYENE
target VEGVDVIH--SIEDIYQLPG---HVFIFGGQTLFEEMIDK--VDDMYITVIE----GKFRGDTFFPPYTFEDWEVASSVE 3qls.1 IIDDNIIHASSIESSLNLVSDVERVFIIGGAEIYNELINNSLVSHLLITEIEHPSPESIEMDTFL-KFPLESW-------
target GKLDEKNTIPHTFLHLIRKK 3qls.1 --------------------
|
|
4h95.1.A |
Dihydrofolate Reductase
Candida albicans dihydrofolate reductase complexed with NADPH and 6-ethyl-5-{3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine (UCP1006) |
0.44 |
|
38.46 |
0.74 |
15-132 |
X-ray |
2.60 |
monomer |
1 x NDP, 1 x 06U |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHT-------LVMGRKTFESIG---KPLPNRRNVVLTSDTSFN 4h95.1 --------------IGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWESIPQKFRPLPDRLNIILSRSYENE
target VEGVDVIH--SIEDIYQLPG---HVFIFGGQTLFEEMIDK--VDDMYITVIE----GKFRGDTFFPPYTFEDWEVASSVE 4h95.1 IIDDNIIHASSIESSLNLVSDVERVFIIGGAEIYNELINNSLVSHLLITEIEHPSPESIEMDTFL-KFPLESW-------
target GKLDEKNTIPHTFLHLIRKK 4h95.1 --------------------
|
|
4h97.1.A |
Dihydrofolate Reductase
Candida albicans dihydrofolate reductase complexed with NADPH and 5-{3-[3-methoxy-5-(4-methylphenyl)phenyl]but-1-yn-1-yl}-6-methylpyrimidine-2,4-diamine (UCP111D4M) |
0.44 |
|
38.46 |
0.74 |
15-132 |
X-ray |
2.20 |
monomer |
1 x NDP, 1 x 53S |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHT-------LVMGRKTFESIG---KPLPNRRNVVLTSDTSFN 4h97.1 --------------IGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWESIPQKFRPLPDRLNIILSRSYENE
target VEGVDVIH--SIEDIYQLPG---HVFIFGGQTLFEEMIDK--VDDMYITVIE----GKFRGDTFFPPYTFEDWEVASSVE 4h97.1 IIDDNIIHASSIESSLNLVSDVERVFIIGGAEIYNELINNSLVSHLLITEIEHPSPESIEMDTFL-KFPLESW-------
target GKLDEKNTIPHTFLHLIRKK 4h97.1 --------------------
|
|
3kgy.1.A |
Bifunctional deaminase-reductase domain protein
Crystal structure of Putative dihydrofolate reductase (YP_001636057.1) from CHLOROFLEXUS AURANTIACUS J-10-FL at 1.50 A resolution |
0.45 |
|
16.79 |
0.86 |
1-137 |
X-ray |
1.50 |
homo-dimer |
2 x NDP |
HHblits |
0.28 |
target MTLSILVAHDLQRVIGFE-NQLPWHL---------PN---------------------------DLKHVKKLS-TGHTLV 3kgy.1 SKVFVNISLSLDGFMAPEGMDMAHFSDPTYKNWGAKWGALMAWALSQQYLREKLKLGTGGETGPVNDMVRHTFERTGAHI
target MGRKTFESIGKPLP-----NRRNVVLTSDTSFNV---EG--VDV-IHSIEDIYQ------LPGHVFIFGGQTLFEEMID- 3kgy.1 MGKRMFEGGERGWPEEAPFHTPVYVLTHERRNPWVRPGGTTFYFVNDGPEQALALAREAAGERDIRISGGANVIQQYLNL
target -KVDDMYITVIEGKF-RGDTFFPPYTF--EDWEVASSVEGKLDEKNTIPHTFLHLIRKK 3kgy.1 GLVDELEIALIPVIFGGGRRLFENLHEPLPQFRIDRV----------------------
|
|
4ha7.1.A |
2,5-diamino-6-ribosylamino-4(3H)-pyrimidinone 5'-phosphate reductase
Structural insights into the reduction mechanism of Saccharomyces cerevisia Riboflavin Biosynthesis Reductase Rib7 |
0.45 |
|
13.24 |
0.86 |
2-137 |
X-ray |
2.10 |
homo-dimer |
|
HHblits |
0.28 |
target MTLSILVAHDLQRVIGFE-NQLPWH-LPNDLKHVKKLST-GHTLVMGRKTFESIG-----K--PL---PNRRNVVLTSDT 4ha7.1 -FVTLTYAQSLDARVSRGPGVRTTISHPETKTMTHYLRHHHDGILVGSGTVLADNPGLNCKWGPDPAANSPRPIIIDTKQ
target SFN-----------------------------VEG--VDVI--------HSIEDIYQL------PGHVFIFGGQTLFEEM 4ha7.1 KWRFDGSKMQELFIKRQGKPPIVVVTSEPIIKEQHVDYAICPINDTTKLVDWKKLFEILKEEFNIRSVMVEGGANVINQL
target I-D--KVDDMYITVIEGKFR-GDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 4ha7.1 LLRSDIVNSLIITIGSTFLGSSGTEVSPPQTVNLKDMSW----------------------
|
|
4ha7.1.B |
2,5-diamino-6-ribosylamino-4(3H)-pyrimidinone 5'-phosphate reductase
Structural insights into the reduction mechanism of Saccharomyces cerevisia Riboflavin Biosynthesis Reductase Rib7 |
0.41 |
|
13.24 |
0.86 |
2-137 |
X-ray |
2.10 |
homo-dimer |
|
HHblits |
0.28 |
target MTLSILVAHDLQRVIGFE-NQLPWH-LPNDLKHVKKLST-GHTLVMGRKTFESIG-----K--PL---PNRRNVVLTSDT 4ha7.1 -FVTLTYAQSLDARVSRGPGVRTTISHPETKTMTHYLRHHHDGILVGSGTVLADNPGLNCKWGPDPAANSPRPIIIDTKQ
target SFN-----------------------------VEG--VDVI--------HSIEDIYQL------PGHVFIFGGQTLFEEM 4ha7.1 KWRFDGSKMQELFIKRQGKPPIVVVTSEPIIKEQHVDYAICPINDTTKLVDWKKLFEILKEEFNIRSVMVEGGANVINQL
target I-D--KVDDMYITVIEGKFR-GDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 4ha7.1 LLRSDIVNSLIITIGSTFLGSSGTEVSPPQTVNLKDMSW----------------------
|
|
5dxv.1.A |
rethreaded DHFR
Crystal structure of Rethreaded DHFR |
0.48 |
|
34.48 |
0.73 |
1-117 |
X-ray |
1.55 |
monomer |
1 x NAP |
BLAST |
0.39 |
target MTLSILVAHDLQRVIG---FENQLP--WHL------------PNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVL 5dxv.1 MAISLIAALAVDRVIGDTHFPDYEPDDWESVFSEFHDADAQNPADLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIIL
target TSDTSFNVEGVDVIHSIEDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEG 5dxv.1 SSQPGTD-DRVTWVKSVDEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAE-----------------------
target KLDEKNTIPHTFLHLIRKK 5dxv.1 -------------------
|
|
5dxv.2.A |
rethreaded DHFR
Crystal structure of Rethreaded DHFR |
0.50 |
|
34.48 |
0.73 |
1-117 |
X-ray |
1.55 |
monomer |
|
BLAST |
0.39 |
target MTLSILVAHDLQRVIG---FENQLP--WHL------------PNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVL 5dxv.2 MAISLIAALAVDRVIGDTHFPDYEPDDWESVFSEFHDADAQNPADLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIIL
target TSDTSFNVEGVDVIHSIEDIYQLPGHV---FIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEG 5dxv.2 SSQPGTD-DRVTWVKSVDEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAE-----------------------
target KLDEKNTIPHTFLHLIRKK 5dxv.2 -------------------
|
|
7lrh.1.A |
Riboflavin biosynthesis protein RibD
C-terminal domain of RibD from Brucella abortus (5-amino-6-ribosylamino-2,4(1H,3H)-pyrimidinedione 5'-phosphate reductase) |
0.40 |
|
14.07 |
0.85 |
3-137 |
X-ray |
1.92 |
homo-dimer |
|
HHblits |
0.27 |
target MTLSILVAHDLQRVIGFE-NQLPWH-LPNDLKHVKKLST-GHTLVMGRKTFESIG-K------P--LPNRRNVVLTSDTS 7lrh.1 --VILKLALSADGMIGRKGAGQVAITGPVSRAQSHILRAQADIILIGIETALADDPVLNCRLPGLEQRSPVRVVLDGGLR
target FN-------------------------------VEGVDV--I------HSIEDIYQL-----PGHVFIFGGQTLFEEMID 7lrh.1 LPLSSRLVRSADTQPLWVACGEEAPDERRAALGAAGCRILATETHDGRIALPELLDDLAAQGIASVLVEGGAGVAKSFLD
target --KVDDMYITVIEGKFR-GD-TFFPPYT---FEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 7lrh.1 EKLVDRLIIFRSPLVIGAADGVAVEGLETHIASEFKILRR----------------------
|
|
7lrh.1.B |
Riboflavin biosynthesis protein RibD
C-terminal domain of RibD from Brucella abortus (5-amino-6-ribosylamino-2,4(1H,3H)-pyrimidinedione 5'-phosphate reductase) |
0.41 |
|
14.07 |
0.85 |
3-137 |
X-ray |
1.92 |
homo-dimer |
|
HHblits |
0.27 |
target MTLSILVAHDLQRVIGFE-NQLPWH-LPNDLKHVKKLST-GHTLVMGRKTFESIG-K------P--LPNRRNVVLTSDTS 7lrh.1 --VILKLALSADGMIGRKGAGQVAITGPVSRAQSHILRAQADIILIGIETALADDPVLNCRLPGLEQRSPVRVVLDGGLR
target FN-------------------------------VEGVDV--I------HSIEDIYQL-----PGHVFIFGGQTLFEEMID 7lrh.1 LPLSSRLVRSADTQPLWVACGEEAPDERRAALGAAGCRILATETHDGRIALPELLDDLAAQGIASVLVEGGAGVAKSFLD
target --KVDDMYITVIEGKFR-GD-TFFPPYT---FEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 7lrh.1 EKLVDRLIIFRSPLVIGAADGVAVEGLETHIASEFKILRR----------------------
|
|
7lrh.2.A |
Riboflavin biosynthesis protein RibD
C-terminal domain of RibD from Brucella abortus (5-amino-6-ribosylamino-2,4(1H,3H)-pyrimidinedione 5'-phosphate reductase) |
0.41 |
|
14.07 |
0.85 |
3-137 |
X-ray |
1.92 |
homo-dimer |
|
HHblits |
0.27 |
target MTLSILVAHDLQRVIGFE-NQLPWH-LPNDLKHVKKLST-GHTLVMGRKTFESIG-K------P--LPNRRNVVLTSDTS 7lrh.2 --VILKLALSADGMIGRKGAGQVAITGPVSRAQSHILRAQADIILIGIETALADDPVLNCRLPGLEQRSPVRVVLDGGLR
target FN-------------------------------VEGVDV--I------HSIEDIYQL-----PGHVFIFGGQTLFEEMID 7lrh.2 LPLSSRLVRSADTQPLWVACGEEAPDERRAALGAAGCRILATETHDGRIALPELLDDLAAQGIASVLVEGGAGVAKSFLD
target --KVDDMYITVIEGKFR-GD-TFFPPYT---FEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 7lrh.2 EKLVDRLIIFRSPLVIGAADGVAVEGLETHIASEFKILRR----------------------
|
|
7lrh.2.B |
Riboflavin biosynthesis protein RibD
C-terminal domain of RibD from Brucella abortus (5-amino-6-ribosylamino-2,4(1H,3H)-pyrimidinedione 5'-phosphate reductase) |
0.40 |
|
14.07 |
0.85 |
3-137 |
X-ray |
1.92 |
homo-dimer |
|
HHblits |
0.27 |
target MTLSILVAHDLQRVIGFE-NQLPWH-LPNDLKHVKKLST-GHTLVMGRKTFESIG-K------P--LPNRRNVVLTSDTS 7lrh.2 --VILKLALSADGMIGRKGAGQVAITGPVSRAQSHILRAQADIILIGIETALADDPVLNCRLPGLEQRSPVRVVLDGGLR
target FN-------------------------------VEGVDV--I------HSIEDIYQL-----PGHVFIFGGQTLFEEMID 7lrh.2 LPLSSRLVRSADTQPLWVACGEEAPDERRAALGAAGCRILATETHDGRIALPELLDDLAAQGIASVLVEGGAGVAKSFLD
target --KVDDMYITVIEGKFR-GD-TFFPPYT---FEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 7lrh.2 EKLVDRLIIFRSPLVIGAADGVAVEGLETHIASEFKILRR----------------------
|
|
7k68.1.A |
Dihydrofolate reductase
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001565 |
0.55 |
|
34.21 |
0.72 |
2-115 |
X-ray |
1.45 |
monomer |
1 x NAP, 1 x QKJ |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 7k68.1 -SVGLIWAQSTSGVIGRDGGIPWRLPEDLAHFKRLTMGHTVVMGRRTWDSLPAAHRPLPGRRNVVVTRQTGLVAHGAQVV
target HSIEDI---YQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 7k68.1 GSLEQALCPAEPDAATWVIGGAQIYALALPLANRCEVTEVD---------------------------------------
target LIRKK 7k68.1 -----
|
|
8ta1.1.A |
Dihydrofolate reductase
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM907 |
0.57 |
|
34.21 |
0.72 |
2-115 |
X-ray |
1.50 |
monomer |
|
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 8ta1.1 -SVGLIWAQSTSGVIGRDGGIPWRLPEDLAHFKRLTMGHTVVMGRRTWDSLPAAHRPLPGRRNVVVTRQTGLVAHGAQVV
target HSIEDIYQLP---GHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 8ta1.1 GSLEQALSPAEPDAATWVIGGAQIYALALPLANRCEVTEVD---------------------------------------
target LIRKK 8ta1.1 -----
|
|
7km9.1.A |
Dihydrofolate reductase
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001913, tetragonal crystal from |
0.57 |
|
34.21 |
0.72 |
2-115 |
X-ray |
1.95 |
monomer |
1 x NAP, 1 x WPJ, 1 x BR |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 7km9.1 -SVGLIWAQSTSGVIGRDGGIPWRLPEDLAHFKRLTMGHTVVMGRRTWDSLPAAHRPLPGRRNVVVTRQTGLVAHGAQVV
target HSIEDIYQLP---GHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 7km9.1 GSLEQALSPAEPDAATWVIGGAQIYALALPLANRCEVTEVD---------------------------------------
target LIRKK 7km9.1 -----
|
|
6uwq.1.A |
Dihydrofolate reductase
Crystal structure of dihydrofolate reductase from Mycobacterium ulcerans with SDDC-0001565 inhibitor |
0.54 |
|
34.21 |
0.72 |
2-115 |
X-ray |
1.50 |
monomer |
1 x NAP, 1 x QKJ |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 6uwq.1 -SVGLIWAQSTSGVIGRDGGIPWRLPEDLAHFKRLTMGHTVVMGRRTWDSLPAAHRPLPGRRNVVVTRQTGLVAHGAQVV
target HSIEDIYQLP---GHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 6uwq.1 GSLEQALSPAEPDAATWVIGGAQIYALALPLANRCEVTEVD---------------------------------------
target LIRKK 6uwq.1 -----
|
|
2w3v.1.A |
DIHYDROFOLATE REDUCTASE
MYCOBACTERIUM AVIUM DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND TRIMETHOPRIM |
0.54 |
|
34.51 |
0.71 |
3-115 |
X-ray |
1.89 |
monomer |
1 x NDP, 1 x TOP |
BLAST |
0.38 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 2w3v.1 --VGLVWAQSTSGVIGRGGDIPWSVPEDLTRFKEVTMGHTVIMGRRTWESLPAKVRPLPGRRNVVVSRRPDFVAEGARVA
target HSIEDIYQLPGH---VFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLH 2w3v.1 GSLEAALAYAGSDPAPWVIGGAQIYLLALPHATRCEVTEIE---------------------------------------
target LIRKK 2w3v.1 -----
|
|
7k62.1.A |
Dihydrofolate reductase
Crystal Structure of Dihydrofolate reductase from Mycobacterium kansasii in complex with NADP and inhibitor P218 |
0.53 |
|
36.70 |
0.69 |
4-112 |
X-ray |
2.05 |
monomer |
1 x NAP, 1 x MMV |
BLAST |
0.40 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESI---GKPLPNRRNVVLTSDTSFNVEGVDVI 7k62.1 ---GLIWAQSTSGVIGRGGDIPWRVPEDLSHFKRITMGHTVVMGRRTWDSLPASARPLPGRRNVVLSRQPGFVAEGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 7k62.1 GSLEDALTGPEDTWVIGGEQIYTLALPRAIRCEVT---------------------------------------------
target KK 7k62.1 --
|
|
3um5.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Double mutant (A16V+S108T) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS-T9/94) complexed with pyrimethamine, NADPH, and dUMP |
0.36 |
|
40.19 |
0.67 |
27-136 |
X-ray |
2.40 |
homo-dimer |
2 x CP6, 2 x NDP, 2 x UMP |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK---PLPNRRNVVLT---SDTSFNVEGV 3um5.1 --------------------------NDMPNSKKLQ--NVVVMGRTTWESIPKKFKPLSNRINVILSRTLKKEDFD-EDV
target DVIHSIEDIYQLPGHV-----FIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNT 3um5.1 YIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIIS-----------
target IPHTFLHLIRKK 3um5.1 ------------
|
|
3um5.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Double mutant (A16V+S108T) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS-T9/94) complexed with pyrimethamine, NADPH, and dUMP |
0.36 |
|
40.19 |
0.67 |
27-136 |
X-ray |
2.40 |
homo-dimer |
2 x CP6, 2 x NDP, 2 x UMP |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK---PLPNRRNVVLT---SDTSFNVEGV 3um5.1 --------------------------NDMPNSKKLQ--NVVVMGRTTWESIPKKFKPLSNRINVILSRTLKKEDFD-EDV
target DVIHSIEDIYQLPGHV-----FIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNT 3um5.1 YIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIIS-----------
target IPHTFLHLIRKK 3um5.1 ------------
|
|
4dpd.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
WILD TYPE PLASMODIUM FALCIPARUM DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE (PfDHFR-TS), DHF COMPLEX, NADP+, dUMP |
0.38 |
|
39.25 |
0.67 |
27-136 |
X-ray |
2.50 |
homo-dimer |
1 x DHF, 1 x NAP, 2 x UMP |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK---PLPNRRNVVLT---SDTSFNVEGV 4dpd.1 --------------------------NDMPNSKKLQ--NVVVMGRTSWESIPKKFKPLSNRINVILSRTLKKEDFD-EDV
target DVIHSIEDIYQLPGHV-----FIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNT 4dpd.1 YIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIIS-----------
target IPHTFLHLIRKK 4dpd.1 ------------
|
|
3qgt.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Crystal structure of Wild-type PfDHFR-TS COMPLEXED WITH NADPH, dUMP AND PYRIMETHAMINE |
0.37 |
|
39.25 |
0.67 |
27-136 |
X-ray |
2.30 |
homo-dimer |
2 x CP6, 2 x NDP, 2 x UMP |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK---PLPNRRNVVLT---SDTSFNVEGV 3qgt.1 --------------------------NDMPNSKKLQ--NVVVMGRTSWESIPKKFKPLSNRINVILSRTLKKEDFD-EDV
target DVIHSIEDIYQLPGHV-----FIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNT 3qgt.1 YIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIIS-----------
target IPHTFLHLIRKK 3qgt.1 ------------
|
|
3qgt.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Crystal structure of Wild-type PfDHFR-TS COMPLEXED WITH NADPH, dUMP AND PYRIMETHAMINE |
0.38 |
|
39.25 |
0.67 |
27-136 |
X-ray |
2.30 |
homo-dimer |
2 x CP6, 2 x NDP, 2 x UMP |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK---PLPNRRNVVLT---SDTSFNVEGV 3qgt.1 --------------------------NDMPNSKKLQ--NVVVMGRTSWESIPKKFKPLSNRINVILSRTLKKEDFD-EDV
target DVIHSIEDIYQLPGHV-----FIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNT 3qgt.1 YIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIIS-----------
target IPHTFLHLIRKK 3qgt.1 ------------
|
|
4dpd.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
WILD TYPE PLASMODIUM FALCIPARUM DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE (PfDHFR-TS), DHF COMPLEX, NADP+, dUMP |
0.37 |
|
39.25 |
0.67 |
27-136 |
X-ray |
2.50 |
homo-dimer |
1 x DHF, 1 x NAP, 2 x UMP |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK---PLPNRRNVVLT---SDTSFNVEGV 4dpd.1 --------------------------NDMPNSKKLQ--NVVVMGRTSWESIPKKFKPLSNRINVILSRTLKKEDFD-EDV
target DVIHSIEDIYQLPGHV-----FIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNT 4dpd.1 YIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIIS-----------
target IPHTFLHLIRKK 4dpd.1 ------------
|
|
6a2o.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Crystal structure of wild type Plasmodium falciparum DHFR-TS complexed with BT3, NADPH, and dUMP |
0.36 |
|
39.25 |
0.67 |
27-136 |
X-ray |
2.35 |
homo-dimer |
2 x 9RR, 2 x NAP, 2 x UMP |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK---PLPNRRNVVLT---SDTSFNVEGV 6a2o.1 --------------------------NDMPNSKKLQ--NVVVMGRTSWESIPKKFKPLSNRINVILSRTLKKEDFD-EDV
target DVIHSIEDIYQLPGHV-----FIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNT 6a2o.1 YIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIIS-----------
target IPHTFLHLIRKK 6a2o.1 ------------
|
|
6a2k.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Crystal structure of wild type Plasmodium falciparum DHFR-TS complexed with BT1, NADPH, and dUMP |
0.35 |
|
39.25 |
0.67 |
27-136 |
X-ray |
2.38 |
homo-dimer |
2 x 9QO, 2 x NAP, 2 x UMP |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK---PLPNRRNVVLT---SDTSFNVEGV 6a2k.1 --------------------------NDMPNSKKLQ--NVVVMGRTSWESIPKKFKPLSNRINVILSRTLKKEDFD-EDV
target DVIHSIEDIYQLPGHV-----FIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNT 6a2k.1 YIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIIS-----------
target IPHTFLHLIRKK 6a2k.1 ------------
|
|
6a2o.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Crystal structure of wild type Plasmodium falciparum DHFR-TS complexed with BT3, NADPH, and dUMP |
0.35 |
|
39.25 |
0.67 |
27-136 |
X-ray |
2.35 |
homo-dimer |
2 x 9RR, 2 x NAP, 2 x UMP |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK---PLPNRRNVVLT---SDTSFNVEGV 6a2o.1 --------------------------NDMPNSKKLQ--NVVVMGRTSWESIPKKFKPLSNRINVILSRTLKKEDFD-EDV
target DVIHSIEDIYQLPGHV-----FIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNT 6a2o.1 YIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIIS-----------
target IPHTFLHLIRKK 6a2o.1 ------------
|
|
6a2m.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Crystal structure of wild type Plasmodium falciparum DHFR-TS complexed with BT2, NADPH, and dUMP |
0.36 |
|
39.25 |
0.67 |
27-136 |
X-ray |
2.20 |
homo-dimer |
2 x 9QR, 2 x NAP, 2 x UMP |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK---PLPNRRNVVLT---SDTSFNVEGV 6a2m.1 --------------------------NDMPNSKKLQ--NVVVMGRTSWESIPKKFKPLSNRINVILSRTLKKEDFD-EDV
target DVIHSIEDIYQLPGHV-----FIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNT 6a2m.1 YIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIIS-----------
target IPHTFLHLIRKK 6a2m.1 ------------
|
|
7f3y.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with methotrexate (MTX), NADPH and dUMP |
0.37 |
|
39.25 |
0.67 |
27-136 |
X-ray |
2.25 |
homo-dimer |
2 x NDP, 3 x MTX, 2 x UMP |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK---PLPNRRNVVLT---SDTSFNVEGV 7f3y.1 --------------------------NDMPNSKKLQ--NVVVMGRTSWESIPKKFKPLSNRINVILSRTLKKEDFD-EDV
target DVIHSIEDIYQLPGHV-----FIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNT 7f3y.1 YIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIIS-----------
target IPHTFLHLIRKK 7f3y.1 ------------
|
|
7cty.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Wild type plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS), fragment 263, NADP+, dUMP |
0.39 |
|
39.25 |
0.67 |
27-136 |
X-ray |
2.80 |
homo-dimer |
1 x NDP, 2 x GF3 |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK---PLPNRRNVVLT---SDTSFNVEGV 7cty.1 --------------------------NDMPNSKKLQ--NVVVMGRTSWESIPKKFKPLSNRINVILSRTLKKEDFD-EDV
target DVIHSIEDIYQLPGHV-----FIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNT 7cty.1 YIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIIS-----------
target IPHTFLHLIRKK 7cty.1 ------------
|
|
7f3y.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with methotrexate (MTX), NADPH and dUMP |
0.36 |
|
39.25 |
0.67 |
27-136 |
X-ray |
2.25 |
homo-dimer |
2 x NDP, 3 x MTX, 2 x UMP |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK---PLPNRRNVVLT---SDTSFNVEGV 7f3y.1 --------------------------NDMPNSKKLQ--NVVVMGRTSWESIPKKFKPLSNRINVILSRTLKKEDFD-EDV
target DVIHSIEDIYQLPGHV-----FIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNT 7f3y.1 YIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIIS-----------
target IPHTFLHLIRKK 7f3y.1 ------------
|
|
7ctw.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with fragment 820, NADPH, dUMP |
0.36 |
|
39.25 |
0.67 |
27-136 |
X-ray |
2.51 |
homo-dimer |
2 x NDP, 1 x GEX |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK---PLPNRRNVVLT---SDTSFNVEGV 7ctw.1 --------------------------NDMPNSKKLQ--NVVVMGRTSWESIPKKFKPLSNRINVILSRTLKKEDFD-EDV
target DVIHSIEDIYQLPGHV-----FIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNT 7ctw.1 YIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIIS-----------
target IPHTFLHLIRKK 7ctw.1 ------------
|
|
8wgm.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Quadruple mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS V1/S, N51I+C59R+S108N+I164L) complexed with LA1, NADPH and dUMP |
0.36 |
|
39.25 |
0.67 |
27-136 |
X-ray |
2.15 |
homo-dimer |
|
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK---PLPNRRNVVLT---SDTSFNVEGV 8wgm.1 --------------------------NDMPNSKKLQ--NVVVMGRTNWESIPKKFKPLSNRINVILSRTLKKEDFD-EDV
target DVIHSIEDIYQLPGHV-----FIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNT 8wgm.1 YIINKVEDLIVLLGKLNYYKCFILGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIIS-----------
target IPHTFLHLIRKK 8wgm.1 ------------
|
|
8wgm.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Quadruple mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS V1/S, N51I+C59R+S108N+I164L) complexed with LA1, NADPH and dUMP |
0.36 |
|
39.25 |
0.67 |
27-136 |
X-ray |
2.15 |
homo-dimer |
|
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK---PLPNRRNVVLT---SDTSFNVEGV 8wgm.1 --------------------------NDMPNSKKLQ--NVVVMGRTNWESIPKKFKPLSNRINVILSRTLKKEDFD-EDV
target DVIHSIEDIYQLPGHV-----FIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNT 8wgm.1 YIINKVEDLIVLLGKLNYYKCFILGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIIS-----------
target IPHTFLHLIRKK 8wgm.1 ------------
|
|
8jfb.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
V1/S quadruple mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 4 (B21588), NADPH and dUMP |
0.36 |
|
39.25 |
0.67 |
27-136 |
X-ray |
2.65 |
homo-dimer |
2 x U86, 2 x NDP, 2 x UMP |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK---PLPNRRNVVLT---SDTSFNVEGV 8jfb.1 --------------------------NDMPNSKKLQ--NVVVMGRTNWESIPKKFKPLSNRINVILSRTLKKEDFD-EDV
target DVIHSIEDIYQLPGHV-----FIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNT 8jfb.1 YIINKVEDLIVLLGKLNYYKCFILGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIIS-----------
target IPHTFLHLIRKK 8jfb.1 ------------
|
|
8jfd.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
V1/S quadruple mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 8 (B21594), NADPH and dUMP |
0.35 |
|
39.25 |
0.67 |
27-136 |
X-ray |
2.30 |
homo-dimer |
2 x NDP, 2 x UMP, 2 x U8Y |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK---PLPNRRNVVLT---SDTSFNVEGV 8jfd.1 --------------------------NDMPNSKKLQ--NVVVMGRTNWESIPKKFKPLSNRINVILSRTLKKEDFD-EDV
target DVIHSIEDIYQLPGHV-----FIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNT 8jfd.1 YIINKVEDLIVLLGKLNYYKCFILGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIIS-----------
target IPHTFLHLIRKK 8jfd.1 ------------
|
|
8jfb.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
V1/S quadruple mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 4 (B21588), NADPH and dUMP |
0.35 |
|
39.25 |
0.67 |
27-136 |
X-ray |
2.65 |
homo-dimer |
2 x U86, 2 x NDP, 2 x UMP |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK---PLPNRRNVVLT---SDTSFNVEGV 8jfb.1 --------------------------NDMPNSKKLQ--NVVVMGRTNWESIPKKFKPLSNRINVILSRTLKKEDFD-EDV
target DVIHSIEDIYQLPGHV-----FIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNT 8jfb.1 YIINKVEDLIVLLGKLNYYKCFILGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIIS-----------
target IPHTFLHLIRKK 8jfb.1 ------------
|
|
3qg2.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Plasmodium falciparum DHFR-TS qradruple mutant (N51I+C59R+S108N+I164L, V1/S) pyrimethamine complex |
0.36 |
|
39.25 |
0.67 |
27-136 |
X-ray |
2.30 |
homo-dimer |
2 x CP6, 2 x NDP, 2 x UMP |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK---PLPNRRNVVLT---SDTSFNVEGV 3qg2.1 --------------------------NDMPNSKKLQ--NVVVMGRTNWESIPKKFKPLSNRINVILSRTLKKEDFD-EDV
target DVIHSIEDIYQLPGHV-----FIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNT 3qg2.1 YIINKVEDLIVLLGKLNYYKCFILGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIIS-----------
target IPHTFLHLIRKK 3qg2.1 ------------
|
|
3qg2.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Plasmodium falciparum DHFR-TS qradruple mutant (N51I+C59R+S108N+I164L, V1/S) pyrimethamine complex |
0.37 |
|
39.25 |
0.67 |
27-136 |
X-ray |
2.30 |
homo-dimer |
2 x CP6, 2 x NDP, 2 x UMP |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK---PLPNRRNVVLT---SDTSFNVEGV 3qg2.1 --------------------------NDMPNSKKLQ--NVVVMGRTNWESIPKKFKPLSNRINVILSRTLKKEDFD-EDV
target DVIHSIEDIYQLPGHV-----FIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNT 3qg2.1 YIINKVEDLIVLLGKLNYYKCFILGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIIS-----------
target IPHTFLHLIRKK 3qg2.1 ------------
|
|
6a2n.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Crystal structure of quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum DHFR-TS complexed with BT2, NADPH, and dUMP |
0.35 |
|
39.25 |
0.67 |
27-136 |
X-ray |
2.45 |
homo-dimer |
2 x 9QR, 2 x NAP, 2 x UMP |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK---PLPNRRNVVLT---SDTSFNVEGV 6a2n.1 --------------------------NDMPNSKKLQ--NVVVMGRTNWESIPKKFKPLSNRINVILSRTLKKEDFD-EDV
target DVIHSIEDIYQLPGHV-----FIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNT 6a2n.1 YIINKVEDLIVLLGKLNYYKCFILGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIIS-----------
target IPHTFLHLIRKK 6a2n.1 ------------
|
|
6lhi.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with C466 (compound 42) and NADPH |
0.38 |
|
39.25 |
0.67 |
27-136 |
X-ray |
2.59 |
homo-dimer |
1 x MET, 2 x UMP, 2 x E9X, 2 x NDP |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK---PLPNRRNVVLT---SDTSFNVEGV 6lhi.1 --------------------------NDMPNSKKLQ--NVVVMGRTNWESIPKKFKPLSNRINVILSRTLKKEDFD-EDV
target DVIHSIEDIYQLPGHV-----FIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNT 6lhi.1 YIINKVEDLIVLLGKLNYYKCFILGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIIS-----------
target IPHTFLHLIRKK 6lhi.1 ------------
|
|
6a2p.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Crystal structure of quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum DHFR-TS complexed with BT3, NADPH, and dUMP |
0.36 |
|
39.25 |
0.67 |
27-136 |
X-ray |
2.60 |
homo-dimer |
2 x 9RR, 1 x NAP, 2 x UMP |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK---PLPNRRNVVLT---SDTSFNVEGV 6a2p.1 --------------------------NDMPNSKKLQ--NVVVMGRTNWESIPKKFKPLSNRINVILSRTLKKEDFD-EDV
target DVIHSIEDIYQLPGHV-----FIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNT 6a2p.1 YIINKVEDLIVLLGKLNYYKCFILGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIIS-----------
target IPHTFLHLIRKK 6a2p.1 ------------
|
|
7f3z.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Double mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS-K1, C59R+S108N) complexed with Trimethoprim (TOP), NADPH and dUMP |
0.36 |
|
39.25 |
0.67 |
27-136 |
X-ray |
2.60 |
homo-dimer |
2 x NDP, 2 x UMP, 2 x TOP |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK---PLPNRRNVVLT---SDTSFNVEGV 7f3z.1 --------------------------NDMPNSKKLQ--NVVVMGRTNWESIPKKFKPLSNRINVILSRTLKKEDFD-EDV
target DVIHSIEDIYQLPGHV-----FIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNT 7f3z.1 YIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIIS-----------
target IPHTFLHLIRKK 7f3z.1 ------------
|
|
7f3z.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Double mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS-K1, C59R+S108N) complexed with Trimethoprim (TOP), NADPH and dUMP |
0.37 |
|
39.25 |
0.67 |
27-136 |
X-ray |
2.60 |
homo-dimer |
2 x NDP, 2 x UMP, 2 x TOP |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK---PLPNRRNVVLT---SDTSFNVEGV 7f3z.1 --------------------------NDMPNSKKLQ--NVVVMGRTNWESIPKKFKPLSNRINVILSRTLKKEDFD-EDV
target DVIHSIEDIYQLPGHV-----FIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNT 7f3z.1 YIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIIS-----------
target IPHTFLHLIRKK 7f3z.1 ------------
|
|
2hxv.1.A |
Diaminohydroxyphosphoribosylaminopyrimidine deaminase/ 5-amino-6-(5-phosphoribosylamino)uracil reductase
Crystal structure of a diaminohydroxyphosphoribosylaminopyrimidine deaminase/ 5-amino-6-(5-phosphoribosylamino)uracil reductase (tm1828) from thermotoga maritima at 1.80 A resolution |
0.44 |
|
20.00 |
0.79 |
1-125 |
X-ray |
1.80 |
homo-dimer |
2 x ZN, 2 x NDP |
HHblits |
0.29 |
target MTLSILVAHDLQRVIGF-ENQLPWHLPNDLKHVKKLST-GHTLVMGRKTFESIGK-------PLPNRRNVVLTSDTSFNV 2hxv.1 PFVALKYASTLDGKIADHRGDSKWITDKLRFKVHEMRNIYSAVLVGAGTVLKDNPQLTCRLKEGRNPVRVILDRKGVLSG
target E-------G--VDV------------------IHSIEDIYQL-----PGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFR 2hxv.1 KVFRVFEENARVIVFTESEEAEYPPHVEKALSDCSVESILRNLYERDIDSVLVEGGSKVFSEFLDHADVVFGFYSTKIFG
target -GDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 2hxv.1 KGLDVFS----------------------------------
|
|
3dga.2.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with RJF01302, NADPH, and dUMP |
0.37 |
|
39.25 |
0.67 |
27-136 |
X-ray |
2.70 |
hetero-1-1-mer |
1 x RJ1, 1 x NDP, 1 x UMP |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK---PLPNRRNVVLT---SDTSFNVEGV 3dga.2 --------------------------NDMPNSKKLQ--NVVVMGRTSWESIPKKFKPLSNRINVILSRTLKKEDFD-EDV
target DVIHSIEDIYQLPGH-----VFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNT 3dga.2 YIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIIS-----------
target IPHTFLHLIRKK 3dga.2 ------------
|
|
3dga.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with RJF01302, NADPH, and dUMP |
0.38 |
|
39.25 |
0.67 |
27-136 |
X-ray |
2.70 |
hetero-1-1-mer |
1 x RJ1, 1 x NDP, 1 x UMP |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK---PLPNRRNVVLT---SDTSFNVEGV 3dga.1 --------------------------NDMPNSKKLQ--NVVVMGRTSWESIPKKFKPLSNRINVILSRTLKKEDFD-EDV
target DVIHSIEDIYQLPGH-----VFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNT 3dga.1 YIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIIS-----------
target IPHTFLHLIRKK 3dga.1 ------------
|
|
1j3i.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with WR99210, NADPH, and dUMP |
0.37 |
|
39.25 |
0.67 |
27-136 |
X-ray |
2.33 |
hetero-2-2-mer |
2 x WRA, 2 x NDP, 2 x UMP |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK---PLPNRRNVVLT---SDTSFNVEGV 1j3i.1 --------------------------NDMPNSKKLQ--NVVVMGRTSWESIPKKFKPLSNRINVILSRTLKKEDFD-EDV
target DVIHSIEDIYQLPGH-----VFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNT 1j3i.1 YIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIIS-----------
target IPHTFLHLIRKK 1j3i.1 ------------
|
|
1j3i.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with WR99210, NADPH, and dUMP |
0.42 |
|
39.25 |
0.67 |
27-136 |
X-ray |
2.33 |
hetero-2-2-mer |
2 x WRA, 2 x NDP, 2 x UMP |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK---PLPNRRNVVLT---SDTSFNVEGV 1j3i.1 --------------------------NDMPNSKKLQ--NVVVMGRTSWESIPKKFKPLSNRINVILSRTLKKEDFD-EDV
target DVIHSIEDIYQLPGH-----VFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNT 1j3i.1 YIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIIS-----------
target IPHTFLHLIRKK 1j3i.1 ------------
|
|
3dg8.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with RJF670, NADPH, and dUMP |
0.36 |
|
39.25 |
0.67 |
27-136 |
X-ray |
2.58 |
hetero-1-1-mer |
1 x RJ6, 1 x NDP, 1 x UMP |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK---PLPNRRNVVLT---SDTSFNVEGV 3dg8.1 --------------------------NDMPNSKKLQ--NVVVMGRTNWESIPKKFKPLSNRINVILSRTLKKEDFD-EDV
target DVIHSIEDIYQLPGH-----VFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNT 3dg8.1 YIINKVEDLIVLLGKLNYYKCFILGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIIS-----------
target IPHTFLHLIRKK 3dg8.1 ------------
|
|
3dg8.2.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with RJF670, NADPH, and dUMP |
0.37 |
|
39.25 |
0.67 |
27-136 |
X-ray |
2.58 |
hetero-1-1-mer |
1 x RJ6, 1 x NDP, 1 x UMP |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK---PLPNRRNVVLT---SDTSFNVEGV 3dg8.2 --------------------------NDMPNSKKLQ--NVVVMGRTNWESIPKKFKPLSNRINVILSRTLKKEDFD-EDV
target DVIHSIEDIYQLPGH-----VFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNT 3dg8.2 YIINKVEDLIVLLGKLNYYKCFILGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIIS-----------
target IPHTFLHLIRKK 3dg8.2 ------------
|
|
1j3k.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with WR99210, NADPH, and dUMP |
0.37 |
|
39.25 |
0.67 |
27-136 |
X-ray |
2.10 |
hetero-2-2-mer |
2 x WRA, 2 x NDP, 2 x UMP |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK---PLPNRRNVVLT---SDTSFNVEGV 1j3k.1 --------------------------NDMPNSKKLQ--NVVVMGRTNWESIPKKFKPLSNRINVILSRTLKKEDFD-EDV
target DVIHSIEDIYQLPGH-----VFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNT 1j3k.1 YIINKVEDLIVLLGKLNYYKCFILGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIIS-----------
target IPHTFLHLIRKK 1j3k.1 ------------
|
|
1j3k.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with WR99210, NADPH, and dUMP |
0.36 |
|
39.25 |
0.67 |
27-136 |
X-ray |
2.10 |
hetero-2-2-mer |
2 x WRA, 2 x NDP, 2 x UMP |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK---PLPNRRNVVLT---SDTSFNVEGV 1j3k.1 --------------------------NDMPNSKKLQ--NVVVMGRTNWESIPKKFKPLSNRINVILSRTLKKEDFD-EDV
target DVIHSIEDIYQLPGH-----VFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNT 1j3k.1 YIINKVEDLIVLLGKLNYYKCFILGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIIS-----------
target IPHTFLHLIRKK 1j3k.1 ------------
|
|
1j3j.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Double mutant (C59R+S108N) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with pyrimethamine, NADPH, and dUMP |
0.37 |
|
39.25 |
0.67 |
27-136 |
X-ray |
2.30 |
hetero-2-2-mer |
2 x CP6, 2 x NDP, 2 x UMP |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK---PLPNRRNVVLT---SDTSFNVEGV 1j3j.1 --------------------------NDMPNSKKLQ--NVVVMGRTNWESIPKKFKPLSNRINVILSRTLKKEDFD-EDV
target DVIHSIEDIYQLPGH-----VFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNT 1j3j.1 YIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIIS-----------
target IPHTFLHLIRKK 1j3j.1 ------------
|
|
1j3j.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Double mutant (C59R+S108N) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with pyrimethamine, NADPH, and dUMP |
0.37 |
|
39.25 |
0.67 |
27-136 |
X-ray |
2.30 |
hetero-2-2-mer |
2 x CP6, 2 x NDP, 2 x UMP |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK---PLPNRRNVVLT---SDTSFNVEGV 1j3j.1 --------------------------NDMPNSKKLQ--NVVVMGRTNWESIPKKFKPLSNRINVILSRTLKKEDFD-EDV
target DVIHSIEDIYQLPGH-----VFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNT 1j3j.1 YIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIIS-----------
target IPHTFLHLIRKK 1j3j.1 ------------
|
|
6p8c.1.A |
2,5-diamino-6-ribosylamino-4(3H)-pyrimidinone 5'-phosphate reductase
2,5-diamino-6-(ribosylamino)-4(3H)-pyrimidinone 5'-phosphate reductase (MthRED) from Methanothermobacter thermautotrophicus |
0.43 |
|
18.40 |
0.79 |
2-126 |
X-ray |
2.07 |
homo-dimer |
1 x MG, 2 x NAP |
HHblits |
0.28 |
target MTLSILVAHDLQRVIGFE-NQLPWHLPNDLKHVKKLS-TGHTLVMGRKTFESIGK----------PLPNRRNVVLTSDTS 6p8c.1 -YVILNAAMTLDGKIATATGSSEISGEEDLRRVHELRRECDAIMVGINTVLADDPRLTVHRVDAAPGDNPVRVVVDSMAR
target FNV---------EGVDVIH-------------------------SIEDIYQL-----PGHVFIFGGQTLFEEMID--KVD 6p8c.1 TPPHFRVLNDEAPTVIGVSESAPPERVAELRKRAEVVVAGTRRVDLHLLLERLHGMGIERLMLEGGSTLNYSMLTGGLVD
target DMYITVIEGKFR-G--DTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 6p8c.1 EVRVCIAPMIVGGRDARTLVDG---------------------------------
|
|
2o7p.1.A |
Riboflavin biosynthesis protein ribD
The crystal structure of RibD from Escherichia coli in complex with the oxidised NADP+ cofactor in the active site of the reductase domain |
0.41 |
|
12.00 |
0.79 |
2-126 |
X-ray |
3.00 |
homo-dimer |
2 x NAP |
HHblits |
0.28 |
target MTLSILVAHDLQRVIGF-ENQLPW-HLPNDLKHVKKLST-GHTLVMGRKTFESIG-----K--P-------------LPN 2o7p.1 -YIQLKLGASLDGRTAMASGESQWITSPQARRDVQLLRAQSHAILTSSATVLADDPALTVRWSELDEQTQALYPQQNLRQ
target RRNVVLTSDTSFNV--E------G-VDVI-----------------------HSIEDIYQL-----PGHVFIFGGQTLFE 2o7p.1 PIRIVIDSQNRVTPVHRIVQQPGETWFARTQEDSREWPETVRTLLIPEHKGHLDLVVLMMQLGKQQINSIWVEAGPTLAG
target EMID--KVDDMYITVIEGKFR-G-DTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 2o7p.1 ALLQAGLVDELIVYIAPKLLGSDARGLCTL---------------------------------
|
|
2o7p.1.B |
Riboflavin biosynthesis protein ribD
The crystal structure of RibD from Escherichia coli in complex with the oxidised NADP+ cofactor in the active site of the reductase domain |
0.40 |
|
12.00 |
0.79 |
2-126 |
X-ray |
3.00 |
homo-dimer |
2 x NAP |
HHblits |
0.28 |
target MTLSILVAHDLQRVIGF-ENQLPW-HLPNDLKHVKKLST-GHTLVMGRKTFESIG-----K--P-------------LPN 2o7p.1 -YIQLKLGASLDGRTAMASGESQWITSPQARRDVQLLRAQSHAILTSSATVLADDPALTVRWSELDEQTQALYPQQNLRQ
target RRNVVLTSDTSFNV--E------G-VDVI-----------------------HSIEDIYQL-----PGHVFIFGGQTLFE 2o7p.1 PIRIVIDSQNRVTPVHRIVQQPGETWFARTQEDSREWPETVRTLLIPEHKGHLDLVVLMMQLGKQQINSIWVEAGPTLAG
target EMID--KVDDMYITVIEGKFR-G-DTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 2o7p.1 ALLQAGLVDELIVYIAPKLLGSDARGLCTL---------------------------------
|
|
3zpg.1.A |
RIBD
Acinetobacter baumannii RibD, form 2 |
0.40 |
|
18.03 |
0.77 |
2-123 |
X-ray |
1.99 |
homo-dimer |
2 x ZN, 4 x 5GP, 4 x OXL, 2 x CAC |
HHblits |
0.28 |
target MTLSILVAHDLQRVIGF-ENQLPW-HLPNDLKHVKKLST-GHTLVMGRKTFESI----G-KPL--------PNRRNVVLT 3zpg.1 -YVRLKVASSLDGRTAMASGESKWITGSAARQDVQHWRAISGAVITGIDTVIADDCQLNVRSLHNIDIETVAQPKRVILD
target SDTSFNV-----------------------EGVDV--IHSIEDIYQ------LPGHVFIFGGQTLFEEMID--KVDDMYI 3zpg.1 RRGRLPLTAKILENPETVMVMGPYRQELADLGVIQLEIQPLKTLLQTLSKQYQIYDVLIEAGATLSSAFLQEGLIDEMIS
target TVIEGKFR-GDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 3zpg.1 YVAPTLLGQSARA------------------------------------
|
|
3zpc.1.B |
RIBOFLAVIN BIOSYNTHESIS PROTEIN RIBD
Acinetobacter baumannii RibD, form 1 |
0.37 |
|
18.03 |
0.77 |
2-123 |
X-ray |
2.20 |
homo-dimer |
2 x ZN |
HHblits |
0.28 |
target MTLSILVAHDLQRVIGF-ENQLPW-HLPNDLKHVKKLST-GHTLVMGRKTFESI----G-KPL--------PNRRNVVLT 3zpc.1 -YVRLKVASSLDGRTAMASGESKWITGSAARQDVQHWRAISGAVITGIDTVIADDCQLNVRSLHNIDIETVAQPKRVILD
target SDTSFNV-----------------------EGVDV--IHSIEDIYQ------LPGHVFIFGGQTLFEEMID--KVDDMYI 3zpc.1 RRGRLPLTAKILENPETVMVMGPYRQELADLGVIQLEIQPLKTLLQTLSKQYQIYDVLIEAGATLSSAFLQEGLIDEMIS
target TVIEGKFR-GDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 3zpc.1 YVAPTLLGQSARA------------------------------------
|
|
3zpc.1.A |
RIBOFLAVIN BIOSYNTHESIS PROTEIN RIBD
Acinetobacter baumannii RibD, form 1 |
0.38 |
|
18.03 |
0.77 |
2-123 |
X-ray |
2.20 |
homo-dimer |
2 x ZN |
HHblits |
0.28 |
target MTLSILVAHDLQRVIGF-ENQLPW-HLPNDLKHVKKLST-GHTLVMGRKTFESI----G-KPL--------PNRRNVVLT 3zpc.1 -YVRLKVASSLDGRTAMASGESKWITGSAARQDVQHWRAISGAVITGIDTVIADDCQLNVRSLHNIDIETVAQPKRVILD
target SDTSFNV-----------------------EGVDV--IHSIEDIYQ------LPGHVFIFGGQTLFEEMID--KVDDMYI 3zpc.1 RRGRLPLTAKILENPETVMVMGPYRQELADLGVIQLEIQPLKTLLQTLSKQYQIYDVLIEAGATLSSAFLQEGLIDEMIS
target TVIEGKFR-GDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 3zpc.1 YVAPTLLGQSARA------------------------------------
|
|
2azn.1.A |
Putative 5-amino-6-(5-phosphoribosylamino)uracil reductase
X-RAY Structure of 2,5-diamino-6-ribosylamino-4(3h)-pyrimidinone 5-phosphate reductase |
0.42 |
|
19.49 |
0.74 |
2-119 |
X-ray |
2.70 |
monomer |
1 x MA5, 1 x NAP |
HHblits |
0.29 |
target MTLSILVAHDLQRVIGF-ENQLPWHLPNDLKHVKKLST-GHTLVMGRKTFESIG-----K--P-LPNRRNVVLTSDTS-- 2azn.1 -YIISNVGMTLDGKLATINNDSRISCEEDLIRVHKIRANVDGIMVGIGTVLKDDPRLTVHKIKSDRNPVRIVVDSKLRVP
target --------------------FNV----------EGVDVI------HSIEDIYQL-----PGHVFIFGGQTLFEEMID--K 2azn.1 LNARVLNKDAKTIIATTEDTNEEKEKKIKILEDMGVEVVKCGRGKVDLKKLMDILYDKGIKSILLEGGGTLNWGMFKEGL
target VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 2azn.1 VDEVSVYIAPKIFG----------------------------------------
|
|
2g6v.1.A |
Riboflavin biosynthesis protein ribD
The crystal structure of ribD from Escherichia coli |
0.41 |
|
12.71 |
0.74 |
2-119 |
X-ray |
2.60 |
homo-dimer |
|
HHblits |
0.28 |
target MTLSILVAHDLQRVIGF-ENQLPW-HLPNDLKHVKKLST-GHTLVMGRKTFESIG-----K--P-------------LPN 2g6v.1 -YIQLKLGASLDGRTAMASGESQWITSPQARRDVQLLRAQSHAILTSSATVLADDPALTVRWSELDEQTQALYPQQNLRQ
target RRNVVLTSDTSFNV--E------GVDV-IH-----------------------SIEDIYQL-----PGHVFIFGGQTLFE 2g6v.1 PIRIVIDSQNRVTPVHRIVQQPGETWFARTQEDSREWPETVRTLLIPEHKGHLDLVVLMMQLGKQQINSIWVEAGPTLAG
target EMID--KVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 2g6v.1 ALLQAGLVDELIVYIAPKLLG----------------------------------------
|
|
2g6v.1.B |
Riboflavin biosynthesis protein ribD
The crystal structure of ribD from Escherichia coli |
0.39 |
|
12.71 |
0.74 |
2-119 |
X-ray |
2.60 |
homo-dimer |
|
HHblits |
0.28 |
target MTLSILVAHDLQRVIGF-ENQLPW-HLPNDLKHVKKLST-GHTLVMGRKTFESIG-----K--P-------------LPN 2g6v.1 -YIQLKLGASLDGRTAMASGESQWITSPQARRDVQLLRAQSHAILTSSATVLADDPALTVRWSELDEQTQALYPQQNLRQ
target RRNVVLTSDTSFNV--E------GVDV-IH-----------------------SIEDIYQL-----PGHVFIFGGQTLFE 2g6v.1 PIRIVIDSQNRVTPVHRIVQQPGETWFARTQEDSREWPETVRTLLIPEHKGHLDLVVLMMQLGKQQINSIWVEAGPTLAG
target EMID--KVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 2g6v.1 ALLQAGLVDELIVYIAPKLLG----------------------------------------
|
|
5xv5.1.A |
Conserved protein
Crystal structure of Rib7 mutant S88E from Methanosarcina mazei |
0.42 |
|
16.95 |
0.74 |
2-119 |
X-ray |
2.50 |
homo-dimer |
|
HHblits |
0.28 |
target MTLSILVAHDLQRVIGFE-NQLPW-HLPNDLKHVKKL-STGHTLVMGRKTFESIGKPL-----------------PNRRN 5xv5.1 -FIFINSAMSADGKLSTKERKQVKISGKLDFERMDELRAHADAIMVGIGTVLADDPSLTVKSPERKAARKAAGKSENPVR
target VVLTSDTSFNVE--------G--VDVI-------------------------HSIEDIYQL-----PGHVFIFGGQTLFE 5xv5.1 VVVDESARTPLNADIFKKGEGLRIIAVSNSAPEEKIRMLEEKALVIKTGAFRVDLTELAAKLKEMGINSLMVEGGATLNW
target EMID--KVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 5xv5.1 GMLSAGLVDEVYTFVGNLIIG----------------------------------------
|
|
5xv5.1.B |
Conserved protein
Crystal structure of Rib7 mutant S88E from Methanosarcina mazei |
0.42 |
|
16.95 |
0.74 |
2-119 |
X-ray |
2.50 |
homo-dimer |
|
HHblits |
0.28 |
target MTLSILVAHDLQRVIGFE-NQLPW-HLPNDLKHVKKL-STGHTLVMGRKTFESIGKPL-----------------PNRRN 5xv5.1 -FIFINSAMSADGKLSTKERKQVKISGKLDFERMDELRAHADAIMVGIGTVLADDPSLTVKSPERKAARKAAGKSENPVR
target VVLTSDTSFNVE--------G--VDVI-------------------------HSIEDIYQL-----PGHVFIFGGQTLFE 5xv5.1 VVVDESARTPLNADIFKKGEGLRIIAVSNSAPEEKIRMLEEKALVIKTGAFRVDLTELAAKLKEMGINSLMVEGGATLNW
target EMID--KVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 5xv5.1 GMLSAGLVDEVYTFVGNLIIG----------------------------------------
|
|
2bl9.1.A |
DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE
X-ray crystal structure of Plasmodium vivax dihydrofolate reductase in complex with pyrimethamine and its derivative |
0.34 |
|
41.58 |
0.64 |
39-139 |
X-ray |
1.90 |
monomer |
1 x NDP, 1 x CP6 |
BLAST |
0.40 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK---PLPNRRNVVLTSD-TSFNV-EGVD 2bl9.1 --------------------------------------NVVVMGRSSWESIPKQYKPLPNRINVVLSKTLTKEDVKEKVF
target VIHSIEDIYQLPGH-----VFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTI 2bl9.1 IIDSIDDLLLLLKKLKYYKCFIIGGAQVYRECLSRNLIKQIYFTRINGAYPCDVFFPEFDESEFRVTSVSE---------
target PHTFLHLIRKK 2bl9.1 -----------
|
|
2bla.1.A |
DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE
SP21 double mutant P. vivax Dihydrofolate reductase in complex with pyrimethamine |
0.36 |
|
41.58 |
0.64 |
39-139 |
X-ray |
2.50 |
monomer |
1 x NDP, 1 x CP6, 1 x MES |
BLAST |
0.40 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK---PLPNRRNVVLTSD-TSFNV-EGVD 2bla.1 --------------------------------------NVVVMGRSNWESIPKQYKPLPNRINVVLSKTLTKEDVKEKVF
target VIHSIEDIYQLPGH-----VFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTI 2bla.1 IIDSIDDLLLLLKKLKYYKCFIIGGAQVYRECLSRNLIKQIYFTRINGAYPCDVFFPEFDESEFRVTSVSE---------
target PHTFLHLIRKK 2bla.1 -----------
|
|
2blc.1.A |
DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE
SP21 double mutant P. vivax Dihydrofolate reductase in complex with des-chloropyrimethamine |
0.37 |
|
41.58 |
0.64 |
39-139 |
X-ray |
2.25 |
monomer |
1 x NDP, 1 x CP7, 1 x MES |
BLAST |
0.40 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGK---PLPNRRNVVLTSD-TSFNV-EGVD 2blc.1 --------------------------------------NVVVMGRSNWESIPKQYKPLPNRINVVLSKTLTKEDVKEKVF
target VIHSIEDIYQLPGH-----VFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTI 2blc.1 IIDSIDDLLLLLKKLKYYKCFIIGGAQVYRECLSRNLIKQIYFTRINGAYPCDVFFPEFDESEFRVTSVSE---------
target PHTFLHLIRKK 2blc.1 -----------
|
|
5xux.1.A |
Conserved protein
Crystal structure of Rib7 from Methanosarcina mazei |
0.43 |
|
17.95 |
0.74 |
3-119 |
X-ray |
2.27 |
homo-dimer |
2 x NAP |
HHblits |
0.28 |
target MTLSILVAHDLQRVIGFE-NQL-PWHLPNDLKHVKKLS-TGHTLVMGRKTFESIGKPL-----------------PNRRN 5xux.1 --IFINSAMSADGKLSTKERKQVKISGKLDFERMDELRAHADAIMVGIGTVLADDPSLTVKSPERKAARKAAGKSENPVR
target VVLTSDTSFNVE--------G-VDVI--------------------------HSIEDIYQL-----PGHVFIFGGQTLFE 5xux.1 VVVDSSARTPLNADIFKKGEGLRIIAVSNSAPEEKIRMLEEKALVIKTGAFRVDLTELAAKLKEMGINSLMVEGGATLNW
target EMID--KVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 5xux.1 GMLSAGLVDEVYTFVGNLIIG----------------------------------------
|
|
5xv0.1.B |
Conserved protein
Crystal structure of Rib7 mutant D33N from Methanosarcina mazei |
0.41 |
|
16.24 |
0.74 |
3-119 |
X-ray |
1.95 |
homo-dimer |
2 x NAP |
HHblits |
0.28 |
target MTLSILVAHDLQRVIGFE-NQLPW-HLPNDLKHVKKL-STGHTLVMGRKTFESIGKPL-----------------PNRRN 5xv0.1 --IFINSAMSADGKLSTKERKQVKISGKLNFERMDELRAHADAIMVGIGTVLADDPSLTVKSPERKAARKAAGKSENPVR
target VVLTSDTSFNVE----------GVDVI-------------------------HSIEDIYQL-----PGHVFIFGGQTLFE 5xv0.1 VVVDSSARTPLNADIFKKGEGLRIIAVSNSAPEEKIRMLEEKALVIKTGAFRVDLTELAAKLKEMGINSLMVEGGATLNW
target EMID--KVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 5xv0.1 GMLSAGLVDEVYTFVGNLIIG----------------------------------------
|
|
5xv0.1.A |
Conserved protein
Crystal structure of Rib7 mutant D33N from Methanosarcina mazei |
0.41 |
|
16.24 |
0.74 |
3-119 |
X-ray |
1.95 |
homo-dimer |
2 x NAP |
HHblits |
0.28 |
target MTLSILVAHDLQRVIGFE-NQLPW-HLPNDLKHVKKL-STGHTLVMGRKTFESIGKPL-----------------PNRRN 5xv0.1 --IFINSAMSADGKLSTKERKQVKISGKLNFERMDELRAHADAIMVGIGTVLADDPSLTVKSPERKAARKAAGKSENPVR
target VVLTSDTSFNVE----------GVDVI-------------------------HSIEDIYQL-----PGHVFIFGGQTLFE 5xv0.1 VVVDSSARTPLNADIFKKGEGLRIIAVSNSAPEEKIRMLEEKALVIKTGAFRVDLTELAAKLKEMGINSLMVEGGATLNW
target EMID--KVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 5xv0.1 GMLSAGLVDEVYTFVGNLIIG----------------------------------------
|
|
5xv0.2.A |
Conserved protein
Crystal structure of Rib7 mutant D33N from Methanosarcina mazei |
0.40 |
|
16.24 |
0.74 |
3-119 |
X-ray |
1.95 |
homo-dimer |
2 x NAP |
HHblits |
0.28 |
target MTLSILVAHDLQRVIGFE-NQLPW-HLPNDLKHVKKL-STGHTLVMGRKTFESIGKPL-----------------PNRRN 5xv0.2 --IFINSAMSADGKLSTKERKQVKISGKLNFERMDELRAHADAIMVGIGTVLADDPSLTVKSPERKAARKAAGKSENPVR
target VVLTSDTSFNVE----------GVDVI-------------------------HSIEDIYQL-----PGHVFIFGGQTLFE 5xv0.2 VVVDSSARTPLNADIFKKGEGLRIIAVSNSAPEEKIRMLEEKALVIKTGAFRVDLTELAAKLKEMGINSLMVEGGATLNW
target EMID--KVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 5xv0.2 GMLSAGLVDEVYTFVGNLIIG----------------------------------------
|
|
5xv2.1.A |
Conserved protein
Crystal structure of Rib7 mutant D33A from Methanosarcina mazei |
0.42 |
|
16.10 |
0.74 |
2-119 |
X-ray |
2.00 |
homo-dimer |
2 x NAP |
HHblits |
0.27 |
target MTLSILVAHDLQRVIGFE-NQLPW-HLPNDLKHVKKLS-TGHTLVMGRKTFESIG-----K--P----------LPNRRN 5xv2.1 -FIFINSAMSADGKLSTKERKQVKISGKLAFERMDELRAHADAIMVGIGTVLADDPSLTVKSPERKAARKAAGKSENPVR
target VVLTSDTSFNVE-------G--VDVI--------------------------HSIEDIYQL-----PGHVFIFGGQTLFE 5xv2.1 VVVDSSARTPLNADIFKKGEGLRIIAVSNSAPEEKIRMLEEKALVIKTGAFRVDLTELAAKLKEMGINSLMVEGGATLNW
target EMID--KVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 5xv2.1 GMLSAGLVDEVYTFVGNLIIG----------------------------------------
|
|
3ro9.1.A |
Strain CBS138 chromosome J complete sequence
Candida glabrata dihydrofolate reductase complexed with NADPH and 6-ethyl-5-[(3R)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP1006) |
0.31 |
|
36.00 |
0.63 |
15-114 |
X-ray |
2.60 |
monomer |
1 x NDP, 1 x 06U |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLST-------GHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFN 3ro9.1 --------------IGFQGNLPWRLAKEMKYFREVTTLTNDNSKQNVVIMGRKTWESIPQKFRPLPKRINVVVSRSFDGE
target VEGVD--VIHSIEDIYQLPG------------HVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVAS 3ro9.1 LRKVEDGIYHSNSLRNCLTALQSSLANENKIERIYIIGGGEIYRQSMDLADHWLITKI----------------------
target SVEGKLDEKNTIPHTFLHLIRKK 3ro9.1 -----------------------
|
|
3qlx.2.A |
Dihydrofolate reductase
Candida glabrata dihydrofolate reductase complexed with NADPH and 6-methyl-5-[(3R)-3-(3,4,5-trimethoxyphenyl)pent-1-yn-1-yl]pyrimidine-2,4-diamine (UCP112A) |
0.30 |
|
36.00 |
0.63 |
15-114 |
X-ray |
2.24 |
monomer |
1 x NDP, 1 x QLR |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLST-------GHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFN 3qlx.2 --------------IGFQGNLPWRLAKEMKYFREVTTLTNDNSKQNVVIMGRKTWESIPQKFRPLPKRINVVVSRSFDGE
target VEGVD--VIHSIEDIYQLPG------------HVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVAS 3qlx.2 LRKVEDGIYHSNSLRNCLTALQSSLANENKIERIYIIGGGEIYRQSMDLADHWLITKI----------------------
target SVEGKLDEKNTIPHTFLHLIRKK 3qlx.2 -----------------------
|
|
4h98.1.A |
Dihydrofolate Reductase
Candida glabrata dihydrofolate reductase complexed with NADPH and 5-{3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyphenyl]prop-1-yn-1-yl}-6-ethylpyrimidine-2,4-diamine (UCP1018) |
0.30 |
|
36.00 |
0.63 |
15-114 |
X-ray |
2.90 |
monomer |
1 x NDP, 1 x 14Q |
BLAST |
0.39 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLST-------GHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFN 4h98.1 --------------IGFQGNLPWRLAKEMKYFREVTTLTNDNSKQNVVIMGRKTWESIPQKFRPLPKRINVVVSRSFDGE
target VEGVD--VIHSIEDIYQLPG------------HVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVAS 4h98.1 LRKVEDGIYHSNSLRNCLTALQSSLANENKIERIYIIGGGEIYRQSMDLADHWLITKI----------------------
target SVEGKLDEKNTIPHTFLHLIRKK 4h98.1 -----------------------
|
|
5ujf.1.A |
Dihydrofolate reductase
Crystal Structure of Mycobacterium tuberculosis Dihydrofolate Reductase Bound p218 Inhibitor |
0.34 |
|
40.00 |
0.60 |
2-96 |
X-ray |
2.30 |
monomer |
1 x MMV |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 5ujf.1 -MVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 5ujf.1 GSLEEALTSPETWVIGGGQ-------------------------------------------------------------
target KK 5ujf.1 --
|
|
6nnh.3.B |
Dihydrofolate reductase
Structure of Closed state of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and cycloguanil |
0.35 |
|
40.43 |
0.59 |
3-96 |
X-ray |
1.52 |
homo-dimer |
2 x 1CY, 2 x NDP, 2 x CO |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 6nnh.3 --VGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 6nnh.3 GSLEEALTSPETWVIGGGQ-------------------------------------------------------------
target KK 6nnh.3 --
|
|
6dds.1.A |
Dihydrofolate reductase
Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta-NADPH and 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid |
0.35 |
|
40.43 |
0.59 |
3-96 |
X-ray |
1.72 |
monomer |
1 x NDP, 1 x U75 |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 6dds.1 --VGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 6dds.1 GSLEEALTSPETWVIGGGQ-------------------------------------------------------------
target KK 6dds.1 --
|
|
6ddp.1.A |
Dihydrofolate reductase
Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta-NADPH and 3'-[(2R)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid |
0.35 |
|
40.43 |
0.59 |
3-96 |
X-ray |
1.49 |
monomer |
1 x NDP, 1 x G6Y |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 6ddp.1 --VGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 6ddp.1 GSLEEALTSPETWVIGGGQ-------------------------------------------------------------
target KK 6ddp.1 --
|
|
6nnh.1.A |
Dihydrofolate reductase
Structure of Closed state of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and cycloguanil |
0.35 |
|
40.43 |
0.59 |
3-96 |
X-ray |
1.52 |
monomer |
1 x 1CY, 1 x NDP, 1 x CO |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 6nnh.1 --VGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 6nnh.1 GSLEEALTSPETWVIGGGQ-------------------------------------------------------------
target KK 6nnh.1 --
|
|
6dds.2.A |
Dihydrofolate reductase
Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta-NADPH and 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid |
0.35 |
|
40.43 |
0.59 |
3-96 |
X-ray |
1.72 |
monomer |
1 x NDP, 1 x U75 |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 6dds.2 --VGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 6dds.2 GSLEEALTSPETWVIGGGQ-------------------------------------------------------------
target KK 6dds.2 --
|
|
1df7.1.A |
DIHYDROFOLATE REDUCTASE
DIHYDROFOLATE REDUCTASE OF MYCOBACTERIUM TUBERCULOSIS COMPLEXED WITH NADPH AND METHOTREXATE |
0.35 |
|
40.43 |
0.59 |
3-96 |
X-ray |
1.70 |
monomer |
1 x NDP, 1 x MTX |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 1df7.1 --VGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 1df7.1 GSLEEALTSPETWVIGGGQ-------------------------------------------------------------
target KK 1df7.1 --
|
|
5ja3.1.B |
Dihydrofolate reductase
Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta- NADPH and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-b iphenyl]-4-carboxylic acid (UCP1106) |
0.35 |
|
40.43 |
0.59 |
3-96 |
X-ray |
1.81 |
homo-tetramer |
4 x NDP, 4 x U06 |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 5ja3.1 --VGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 5ja3.1 GSLEEALTSPETWVIGGGQ-------------------------------------------------------------
target KK 5ja3.1 --
|
|
8cqa.1.B |
Dihydrofolate reductase
Mycobacterium tuberculosis dihydrofolate reductase in complex with N-(4-(2,6-diamino-5-(cyclopropylethynyl)pyrimidin-4-yl)phenyl)acetamide |
0.33 |
|
40.43 |
0.59 |
3-96 |
X-ray |
2.00 |
homo-dimer |
2 x VF6, 2 x NDP, 2 x CO, 1 x MES |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 8cqa.1 --VGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 8cqa.1 GSLEEALTSPETWVIGGGQ-------------------------------------------------------------
target KK 8cqa.1 --
|
|
8cqa.1.A |
Dihydrofolate reductase
Mycobacterium tuberculosis dihydrofolate reductase in complex with N-(4-(2,6-diamino-5-(cyclopropylethynyl)pyrimidin-4-yl)phenyl)acetamide |
0.35 |
|
40.43 |
0.59 |
3-96 |
X-ray |
2.00 |
homo-dimer |
2 x VF6, 2 x NDP, 2 x CO, 1 x MES |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 8cqa.1 --VGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 8cqa.1 GSLEEALTSPETWVIGGGQ-------------------------------------------------------------
target KK 8cqa.1 --
|
|
6vs5.1.A |
Dihydrofolate reductase
Mycobacterium tuberculosis dihydrofolate reductase in complex with 5-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid (fragment 1) |
0.35 |
|
40.43 |
0.59 |
3-96 |
X-ray |
1.76 |
monomer |
1 x CO, 2 x 9FH, 1 x NDP |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 6vs5.1 --VGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 6vs5.1 GSLEEALTSPETWVIGGGQ-------------------------------------------------------------
target KK 6vs5.1 --
|
|
6ddw.1.A |
Dihydrofolate reductase
Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta-NADPH and N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-2-hydroxybenzene-1-carbonyl)-L-glutamic acid |
0.35 |
|
40.43 |
0.59 |
3-96 |
X-ray |
1.40 |
monomer |
1 x NDP, 1 x G7D |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 6ddw.1 --VGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 6ddw.1 GSLEEALTSPETWVIGGGQ-------------------------------------------------------------
target KK 6ddw.1 --
|
|
6vv6.2.A |
Dihydrofolate reductase
Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB113 |
0.35 |
|
40.43 |
0.59 |
3-96 |
X-ray |
2.24 |
monomer |
1 x CO, 1 x NAP, 1 x RPJ |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 6vv6.2 --VGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 6vv6.2 GSLEEALTSPETWVIGGGQ-------------------------------------------------------------
target KK 6vv6.2 --
|
|
6vv7.2.A |
Dihydrofolate reductase
Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB136 |
0.35 |
|
40.43 |
0.59 |
3-96 |
X-ray |
2.00 |
monomer |
1 x NDP, 1 x CO, 1 x RPM |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 6vv7.2 --VGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 6vv7.2 GSLEEALTSPETWVIGGGQ-------------------------------------------------------------
target KK 6vv7.2 --
|
|
6vv8.1.A |
Dihydrofolate reductase
Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB285 |
0.35 |
|
40.43 |
0.59 |
3-96 |
X-ray |
2.68 |
monomer |
2 x CO, 1 x NAP, 1 x RPV |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 6vv8.1 --VGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 6vv8.1 GSLEEALTSPETWVIGGGQ-------------------------------------------------------------
target KK 6vv8.1 --
|
|
6vv9.2.A |
Dihydrofolate reductase
Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB300 |
0.34 |
|
40.43 |
0.59 |
3-96 |
X-ray |
2.18 |
monomer |
2 x CO, 1 x NDP, 1 x RQ1 |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 6vv9.2 --VGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 6vv9.2 GSLEEALTSPETWVIGGGQ-------------------------------------------------------------
target KK 6vv9.2 --
|
|
6vvb.1.A |
Dihydrofolate reductase
Mycobacterium tuberculosis dihydrofolate reductase in complex with 6-methyl-5-(4-phenylthiazol-2-yl)-2- (trifluoromethyl)nicotinic acid (fragment 10) |
0.34 |
|
40.43 |
0.59 |
3-96 |
X-ray |
1.45 |
monomer |
1 x RQ4, 1 x P33, 1 x NAP |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 6vvb.1 --VGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 6vvb.1 GSLEEALTSPETWVIGGGQ-------------------------------------------------------------
target KK 6vvb.1 --
|
|
8cop.1.B |
Dihydrofolate reductase
Mycobacterium tuberculosis dihydrofolate reductase in complex with N-(4-(2,6-diamino-5-(cyclopropylethynyl)pyrimidin-4-yl)phenyl)methanesulfonamide |
0.33 |
|
40.43 |
0.59 |
3-96 |
X-ray |
1.80 |
homo-dimer |
2 x NDP, 2 x VCI, 2 x CO |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 8cop.1 --VGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 8cop.1 GSLEEALTSPETWVIGGGQ-------------------------------------------------------------
target KK 8cop.1 --
|
|
8cq9.1.B |
Dihydrofolate reductase
Mycobacterium tuberculosis dihydrofolate reductase in complex with 5-(cyclopropylethynyl)-6-(4-(trifluoromethyl)phenyl)pyrimidine-2,4-diamine |
0.34 |
|
40.43 |
0.59 |
3-96 |
X-ray |
1.75 |
homo-dimer |
2 x VFU, 2 x NDP, 2 x CO, 1 x MES |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 8cq9.1 --VGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 8cq9.1 GSLEEALTSPETWVIGGGQ-------------------------------------------------------------
target KK 8cq9.1 --
|
|
8cox.1.B |
Dihydrofolate reductase
Mycobacterium tuberculosis dihydrofolate reductase in complex with N-(2-(2,6-diamino-5-(cyclopropylethynyl)pyrimidin-4-yl)phenyl)methanesulfonamide |
0.35 |
|
40.43 |
0.59 |
3-96 |
X-ray |
2.10 |
homo-dimer |
2 x NDP, 2 x CO, 1 x VBJ |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 8cox.1 --VGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 8cox.1 GSLEEALTSPETWVIGGGQ-------------------------------------------------------------
target KK 8cox.1 --
|
|
4m2x.2.A |
Dihydrofolate reductase
Mycobacterium tuberculosis dihydrofolate reductase complexed with trimetrexate (TMQ) |
0.35 |
|
40.43 |
0.59 |
3-96 |
X-ray |
2.26 |
monomer |
1 x NDP, 1 x TMQ |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 4m2x.2 --VGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4m2x.2 GSLEEALTSPETWVIGGGQ-------------------------------------------------------------
target KK 4m2x.2 --
|
|
4m2x.1.A |
Dihydrofolate reductase
Mycobacterium tuberculosis dihydrofolate reductase complexed with trimetrexate (TMQ) |
0.36 |
|
40.43 |
0.59 |
3-96 |
X-ray |
2.26 |
monomer |
1 x NDP, 1 x TMQ |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 4m2x.1 --VGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4m2x.1 GSLEEALTSPETWVIGGGQ-------------------------------------------------------------
target KK 4m2x.1 --
|
|
4m2x.4.A |
Dihydrofolate reductase
Mycobacterium tuberculosis dihydrofolate reductase complexed with trimetrexate (TMQ) |
0.37 |
|
40.43 |
0.59 |
3-96 |
X-ray |
2.26 |
monomer |
1 x NDP, 1 x TMQ |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 4m2x.4 --VGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4m2x.4 GSLEEALTSPETWVIGGGQ-------------------------------------------------------------
target KK 4m2x.4 --
|
|
5u27.1.A |
Dihydrofolate reductase
Crystal Structure of Mycobacterium tuberculosis Dihydrofolate Reductase Bound to NADP and p65 Inhibitor |
0.36 |
|
40.43 |
0.59 |
3-96 |
X-ray |
2.05 |
monomer |
1 x NAP, 1 x P65 |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 5u27.1 --VGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 5u27.1 GSLEEALTSPETWVIGGGQ-------------------------------------------------------------
target KK 5u27.1 --
|
|
4km0.2.A |
Dihydrofolate reductase
Crystal structure of dihydrofolate reductase from Mycobacterium tuberculosis in complex with pyrimethamine |
0.33 |
|
40.43 |
0.59 |
3-96 |
X-ray |
1.30 |
monomer |
1 x CP6, 1 x ATR |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 4km0.2 --VGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4km0.2 GSLEEALTSPETWVIGGGQ-------------------------------------------------------------
target KK 4km0.2 --
|
|
4km2.1.A |
Dihydrofolate reductase
Crystal structure of Dihydrofolate reductase from Mycobacterium tuberculosis in an open conformation in complex with trimethoprim |
0.33 |
|
40.43 |
0.59 |
3-96 |
X-ray |
1.40 |
monomer |
1 x ATR, 1 x TOP |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 4km2.1 --VGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4km2.1 GSLEEALTSPETWVIGGGQ-------------------------------------------------------------
target KK 4km2.1 --
|
|
4km2.2.A |
Dihydrofolate reductase
Crystal structure of Dihydrofolate reductase from Mycobacterium tuberculosis in an open conformation in complex with trimethoprim |
0.34 |
|
40.43 |
0.59 |
3-96 |
X-ray |
1.40 |
monomer |
1 x ATR, 1 x TOP |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 4km2.2 --VGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4km2.2 GSLEEALTSPETWVIGGGQ-------------------------------------------------------------
target KK 4km2.2 --
|
|
4kl9.1.A |
Dihydrofolate reductase
Crystal structure of dihydrofolate reductase from Mycobacterium tuberculosis in the space group C2 |
0.36 |
|
40.43 |
0.59 |
3-96 |
X-ray |
1.39 |
monomer |
1 x NDP, 1 x P33 |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 4kl9.1 --VGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 4kl9.1 GSLEEALTSPETWVIGGGQ-------------------------------------------------------------
target KK 4kl9.1 --
|
|
5sd2.1.A |
Dihydrofolate reductase
Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1236 (enantiomer) |
0.34 |
|
40.43 |
0.59 |
3-96 |
X-ray |
2.00 |
monomer |
1 x NAP, 1 x HJI |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 5sd2.1 --VGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 5sd2.1 GSLEEALTSPETWVIGGGQ-------------------------------------------------------------
target KK 5sd2.1 --
|
|
5scm.1.A |
Dihydrofolate reductase
Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-22 |
0.34 |
|
40.43 |
0.59 |
3-96 |
X-ray |
1.65 |
monomer |
1 x GHU, 1 x NAP |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 5scm.1 --VGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 5scm.1 GSLEEALTSPETWVIGGGQ-------------------------------------------------------------
target KK 5scm.1 --
|
|
5scp.1.A |
Dihydrofolate reductase
Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-23 |
0.35 |
|
40.43 |
0.59 |
3-96 |
X-ray |
1.80 |
monomer |
1 x NAP, 1 x GWL |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 5scp.1 --VGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 5scp.1 GSLEEALTSPETWVIGGGQ-------------------------------------------------------------
target KK 5scp.1 --
|
|
2cig.1.A |
DIHYDROFOLATE REDUCTASE
Dihydrofolate reductase from Mycobacterium tuberculosis inhibited by the acyclic 4R isomer of INH-NADP a derivative of the prodrug isoniazid. |
0.34 |
|
39.36 |
0.59 |
3-96 |
X-ray |
1.90 |
monomer |
1 x 1DG |
BLAST |
0.41 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVI 2cig.1 --VGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRVWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVV
target HSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIR 2cig.1 GSLEEALTSPETWVIGGGQ-------------------------------------------------------------
target KK 2cig.1 --
|
|
1cz3.1.A |
DIHYDROFOLATE REDUCTASE
DIHYDROFOLATE REDUCTASE FROM THERMOTOGA MARITIMA |
0.27 |
|
45.45 |
0.55 |
23-113 |
X-ray |
2.10 |
homo-dimer |
|
BLAST |
0.42 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG-HTLVMGRKTFESIGKPLPNRRNVVLT---------SDTSFN 1cz3.1 ----------------------WSSFEDRKNFRKITTEIGNVVMGRITFEEIGRPLPERLNVVLTRRPKTSNNPSLVFFN
target VEGVDVIHSIEDI-YQLPGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNT 1cz3.1 GSPADVVKFLEGKGYE---RVAVIGGKTVFTEFLREKLVDELFVTV----------------------------------
target IPHTFLHLIRKK 1cz3.1 ------------
|
|
1d1g.1.B |
DIHYDROFOLATE REDUCTASE
DIHYDROFOLATE REDUCTASE FROM THERMOTOGA MARITIMA |
0.28 |
|
45.45 |
0.55 |
23-113 |
X-ray |
2.10 |
homo-dimer |
2 x NDP, 2 x MTX |
BLAST |
0.42 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG-HTLVMGRKTFESIGKPLPNRRNVVLT---------SDTSFN 1d1g.1 ----------------------WSSFEDRKNFRKITTEIGNVVMGRITFEEIGRPLPERLNVVLTRRPKTSNNPSLVFFN
target VEGVDVIHSIEDI-YQLPGHVFIFGGQTLFEEMIDK--VDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNT 1d1g.1 GSPADVVKFLEGKGYE---RVAVIGGKTVFTEFLREKLVDELFVTV----------------------------------
target IPHTFLHLIRKK 1d1g.1 ------------
|
|
3qfx.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Trypanosoma brucei dihydrofolate reductase pyrimethamine complex |
0.23 |
|
40.00 |
0.41 |
4-68 |
X-ray |
2.20 |
monomer |
1 x NDP, 1 x CP6 |
BLAST |
0.42 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG-------------HTLVMGRKTFESIG---KPLPNRRNVVLT 3qfx.1 ---SVVVASDEKGGIGDGGTIPWEIPEDMQYFRRVTTNLRGKNVKPSPSKRNAVVMGRKTWDSLPPKFRPLSNRLNVVLS
target SDTSFNVEGVDVIHSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDE 3qfx.1 RSAT----------------------------------------------------------------------------
target KNTIPHTFLHLIRKK 3qfx.1 ---------------
|
|
3rg9.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Trypanosoma brucei dihydrofolate reductase (TbDHFR) in complex with WR99210 |
0.23 |
|
40.00 |
0.41 |
4-68 |
X-ray |
2.00 |
monomer |
1 x NDP, 1 x WRA |
BLAST |
0.42 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG-------------HTLVMGRKTFESIG---KPLPNRRNVVLT 3rg9.1 ---SVVVASDEKGGIGDGGTIPWEIPEDMQYFRRVTTNLRGKNVKPSPSKRNAVVMGRKTWDSLPPKFRPLSNRLNVVLS
target SDTSFNVEGVDVIHSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDE 3rg9.1 RSAT----------------------------------------------------------------------------
target KNTIPHTFLHLIRKK 3rg9.1 ---------------
|
|
3irm.2.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase COMPLEXED WITH Cycloguanil |
0.21 |
|
47.62 |
0.40 |
3-65 |
X-ray |
2.10 |
homo-dimer |
2 x 1CY |
BLAST |
0.43 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG-------------HTLVMGRKTFESIG---KPLPNRRNVVLT 3irm.2 --FSLVVAVDEHGGIGDGRSIPWNVPEDMKFFRDLTTKLRGKNVKPSPAKRNAVVMGRKTWDSIPPKFRPLPGRLNVVLS
target SDTSFNVEGVDVIHSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDE 3irm.2 S-------------------------------------------------------------------------------
target KNTIPHTFLHLIRKK 3irm.2 ---------------
|
|
3irn.1.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase COMPLEXED WITH NADPH AND Cycloguanil |
0.22 |
|
47.62 |
0.40 |
3-65 |
X-ray |
2.60 |
homo-dimer |
2 x 1CY, 2 x NDP |
BLAST |
0.43 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG-------------HTLVMGRKTFESIG---KPLPNRRNVVLT 3irn.1 --FSLVVAVDEHGGIGDGRSIPWNVPEDMKFFRDLTTKLRGKNVKPSPAKRNAVVMGRKTWDSIPPKFRPLPGRLNVVLS
target SDTSFNVEGVDVIHSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDE 3irn.1 S-------------------------------------------------------------------------------
target KNTIPHTFLHLIRKK 3irn.1 ---------------
|
|
3irn.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase COMPLEXED WITH NADPH AND Cycloguanil |
0.21 |
|
47.62 |
0.40 |
3-65 |
X-ray |
2.60 |
homo-dimer |
2 x 1CY, 2 x NDP |
BLAST |
0.43 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG-------------HTLVMGRKTFESIG---KPLPNRRNVVLT 3irn.1 --FSLVVAVDEHGGIGDGRSIPWNVPEDMKFFRDLTTKLRGKNVKPSPAKRNAVVMGRKTWDSIPPKFRPLPGRLNVVLS
target SDTSFNVEGVDVIHSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDE 3irn.1 S-------------------------------------------------------------------------------
target KNTIPHTFLHLIRKK 3irn.1 ---------------
|
|
3irn.2.A |
Bifunctional dihydrofolate reductase-thymidylate synthase
Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase COMPLEXED WITH NADPH AND Cycloguanil |
0.21 |
|
47.62 |
0.40 |
3-65 |
X-ray |
2.60 |
homo-dimer |
2 x 1CY, 2 x NDP |
BLAST |
0.43 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG-------------HTLVMGRKTFESIG---KPLPNRRNVVLT 3irn.2 --FSLVVAVDEHGGIGDGRSIPWNVPEDMKFFRDLTTKLRGKNVKPSPAKRNAVVMGRKTWDSIPPKFRPLPGRLNVVLS
target SDTSFNVEGVDVIHSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDE 3irn.2 S-------------------------------------------------------------------------------
target KNTIPHTFLHLIRKK 3irn.2 ---------------
|
|
3irn.2.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase COMPLEXED WITH NADPH AND Cycloguanil |
0.22 |
|
47.62 |
0.40 |
3-65 |
X-ray |
2.60 |
homo-dimer |
2 x 1CY, 2 x NDP |
BLAST |
0.43 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG-------------HTLVMGRKTFESIG---KPLPNRRNVVLT 3irn.2 --FSLVVAVDEHGGIGDGRSIPWNVPEDMKFFRDLTTKLRGKNVKPSPAKRNAVVMGRKTWDSIPPKFRPLPGRLNVVLS
target SDTSFNVEGVDVIHSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDE 3irn.2 S-------------------------------------------------------------------------------
target KNTIPHTFLHLIRKK 3irn.2 ---------------
|
|
3inv.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase COMPLEXED WITH NADPH, dUMP AND C-448 ANTIFOLATE |
0.21 |
|
47.62 |
0.40 |
3-65 |
X-ray |
2.37 |
homo-dimer |
2 x C50, 2 x NDP, 2 x UMP |
BLAST |
0.43 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG-------------HTLVMGRKTFESIG---KPLPNRRNVVLT 3inv.1 --FSLVVAVDEHGGIGDGRSIPWNVPEDMKFFRDLTTKLRGKNVKPSPAKRNAVVMGRKTWDSIPPKFRPLPGRLNVVLS
target SDTSFNVEGVDVIHSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDE 3inv.1 S-------------------------------------------------------------------------------
target KNTIPHTFLHLIRKK 3inv.1 ---------------
|
|
3cl9.2.B |
Bifunctional dihydrofolate reductase-thymidylate synthase (DHFR-TS)
Structure of bifunctional TcDHFR-TS in complex with MTX |
0.22 |
|
46.03 |
0.40 |
3-65 |
X-ray |
3.30 |
homo-dimer |
2 x NAP, 2 x MTX, 2 x UMP |
BLAST |
0.42 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG-------------HTLVMGRKTFESIG---KPLPNRRNVVLT 3cl9.2 --FSLVVAVDERGGIGDGRSIPWNVPEDMKFFRDVTTKLRGKNVKPSPAKRNAVVMGRKTWDSIPPKFRPLPGRLNVVLS
target SDTSFNVEGVDVIHSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDE 3cl9.2 S-------------------------------------------------------------------------------
target KNTIPHTFLHLIRKK 3cl9.2 ---------------
|
|
3clb.2.A |
DHFR-TS
Structure of bifunctional TcDHFR-TS in complex with TMQ |
0.22 |
|
46.03 |
0.40 |
3-65 |
X-ray |
3.00 |
homo-dimer |
2 x NAP, 2 x TMQ |
BLAST |
0.42 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG-------------HTLVMGRKTFESIG---KPLPNRRNVVLT 3clb.2 --FSLVVAVDERGGIGDGRSIPWNVPEDMKFFRDVTTKLRGKNVKPSPAKRNAVVMGRKTWDSIPPKFRPLPGRLNVVLS
target SDTSFNVEGVDVIHSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDE 3clb.2 S-------------------------------------------------------------------------------
target KNTIPHTFLHLIRKK 3clb.2 ---------------
|
|
3clb.1.A |
DHFR-TS
Structure of bifunctional TcDHFR-TS in complex with TMQ |
0.21 |
|
46.03 |
0.40 |
3-65 |
X-ray |
3.00 |
homo-dimer |
2 x NAP, 2 x TMQ |
BLAST |
0.42 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG-------------HTLVMGRKTFESIG---KPLPNRRNVVLT 3clb.1 --FSLVVAVDERGGIGDGRSIPWNVPEDMKFFRDVTTKLRGKNVKPSPAKRNAVVMGRKTWDSIPPKFRPLPGRLNVVLS
target SDTSFNVEGVDVIHSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDE 3clb.1 S-------------------------------------------------------------------------------
target KNTIPHTFLHLIRKK 3clb.1 ---------------
|
|
3clb.1.B |
DHFR-TS
Structure of bifunctional TcDHFR-TS in complex with TMQ |
0.21 |
|
46.03 |
0.40 |
3-65 |
X-ray |
3.00 |
homo-dimer |
2 x NAP, 2 x TMQ |
BLAST |
0.42 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG-------------HTLVMGRKTFESIG---KPLPNRRNVVLT 3clb.1 --FSLVVAVDERGGIGDGRSIPWNVPEDMKFFRDVTTKLRGKNVKPSPAKRNAVVMGRKTWDSIPPKFRPLPGRLNVVLS
target SDTSFNVEGVDVIHSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDE 3clb.1 S-------------------------------------------------------------------------------
target KNTIPHTFLHLIRKK 3clb.1 ---------------
|
|
2h2q.1.B |
Bifunctional dihydrofolate reductase-thymidylate synthase
Crystal structure of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate synthase |
0.20 |
|
46.03 |
0.40 |
3-65 |
X-ray |
2.40 |
homo-dimer |
2 x NAP, 2 x DU |
BLAST |
0.42 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTG-------------HTLVMGRKTFESIG---KPLPNRRNVVLT 2h2q.1 --FSLVVAVDERGGIGDGRSIPWNVPEDMKFFRDVTTKLRGKNVKPSPAKRNAVVMGRKTWDSIPPKFRPLPGRLNVVLS
target SDTSFNVEGVDVIHSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDE 2h2q.1 S-------------------------------------------------------------------------------
target KNTIPHTFLHLIRKK 2h2q.1 ---------------
|
|
6rum.1.A |
GFP-LAMA-G97 a GFP enhancer nanobody with cpDHFR insertion
Crystal structure of GFP-LAMA-G97 - a GFP enhancer nanobody with cpDHFR insertion and TMP and NADPH |
0.05 |
|
41.67 |
0.15 |
2-25 |
X-ray |
1.60 |
monomer |
1 x TOP, 1 x NDP |
HHblits |
0.43 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 6rum.1 -MISLIAALAVDRVIGMENAMPWNF-------------------------------------------------------
target EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 6rum.1 -------------------------------------------------------------------------------
|
|
6rul.1.A |
GFP-LAMA-F98 a GFP enhancer nanobody with cpDHFR insertion,Dihydrofolate reductase,GFP-LAMA-F98 a GFP enhancer nanobody with cpDHFR insertion,Dihydrofolate reductase,Dihydrofolate reductase,GFP-LAMA-F98 a GFP enhancer nanobody with cpDHFR insertion,Dihydrofolate reductase,GFP-LAMA-F98 a GFP enhancer nanobody with cpDHFR insertion
Crystal structure of GFP-LAMA-F98 - a GFP enhancer nanobody with cpDHFR insertion and TMP and NADPH |
0.05 |
|
43.48 |
0.14 |
2-24 |
X-ray |
2.20 |
monomer |
1 x TOP, 1 x NDP |
HHblits |
0.44 |
target MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSI 6rul.1 -MISLIAALAVDRVIGMENAMPWN--------------------------------------------------------
target EDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK 6rul.1 -------------------------------------------------------------------------------
|