UniProt P0A017
Dihydrofolate reductase (P0A017)
Dihydrofolate reductase (UniProt P0A017), EC 1.5.1.3: 89 experimental structures and 1 predicted model on GenesisL1, 16 ligands bound, 2 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P0A017
- Protein
- Dihydrofolate reductase
- EC
- 1.5.1.3
- Experimental structures
- 89
- Predicted models
- 1
- Ligands
- 16
- Pockets
- 2 · 2 records with a druggable one
Structures
90 records of P0A017 in the MolNFT archive: 89 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2W9G | Wild-type Staphylococcus aureus DHFR in complex with NADPH and trimethoprim | x-ray diffraction | A | — | — |
| 2W9G | Wild-type staphylococcus aureus DHFR in complex with NADPH and trimethoprim | x-ray diffraction | A | — | — |
| 2W9H | Wild-type Staphylococcus aureus DHFR in complex with trimethoprim | x-ray diffraction | A | — | — |
| 2W9H | Wild-type staphylococcus aureus DHFR in complex with trimethoprim | x-ray diffraction | A | — | — |
| 3FRA | Staphylococcus aureus F98Y DHFR complexed with iclaprim | x-ray diffraction | X | — | — |
| 3FRA | Staphylococcus aureus F98Y DHFR complexed with iclaprim | x-ray diffraction | X | — | — |
| 3FRB | S. aureus F98Y DHFR complexed with TMP | x-ray diffraction | X | — | — |
| 3FRB | S. aureus F98Y DHFR complexed with tmp | x-ray diffraction | X | — | — |
| 3FRD | S. aureus DHFR complexed with NADPH and folate | x-ray diffraction | X | — | — |
| 3FRD | S. aureus DHFR complexed with NADPH and folate | x-ray diffraction | X | — | — |
| 3FRE | S. aureus DHFR complexed with NADPH and TMP | x-ray diffraction | X | — | — |
| 3FRE | S. aureus DHFR complexed with NADPH and tmp | x-ray diffraction | X | — | — |
| 3FRF | S. aureus DHFR complexed with NADPH and iclaprim | x-ray diffraction | X | — | — |
| 3FRF | S. aureus DHFR complexed with NADPH and iclaprim | x-ray diffraction | X | — | — |
| 3FY8 | Crystal Structure of Staph. aureus DHFR complexed with NADPH and AR-101 | x-ray diffraction | X | — | — |
| 3FY8 | Crystal structure of staph. aureus DHFR complexed with NADPH and ar- 101 | x-ray diffraction | X | — | — |
| 3FY9 | Staph. aureus DHFR F98Y complexed with AR-102 | x-ray diffraction | X | — | — |
| 3FY9 | Staph. aureus DHFR F98Y complexed with ar-102 | x-ray diffraction | X | — | — |
| 3FYV | Staph. aureus DHFR complexed with NADPH and AR-102 | x-ray diffraction | X | — | — |
| 3FYV | Staph. aureus DHFR complexed with NADPH and ar-102 | x-ray diffraction | X | — | — |
| 3FYW | Staph. aureus DHFR complexed with NADPH and AR-101 | x-ray diffraction | X | — | — |
| 3FYW | Staph. aureus DHFR complexed with NADPH and ar-101 | x-ray diffraction | X | — | — |
| 3I8A | Staphylococcus aureus H30N, F98Y Dihydrofolate Reductase complexed with NADPH and… | x-ray diffraction | X | — | — |
| 3I8A | Staphylococcus aureus H30N, F98Y dihydrofolate reductase complexed with NADPH and… | x-ray diffraction | X | — | — |
| 3LG4 | Staphylococcus aureus V31Y, F92I mutant dihydrofolate reductase complexed with NADPH and… | x-ray diffraction | A, B | — | — |
| 3LG4 | Staphylococcus aureus V31Y, F92I mutant dihydrofolate reductase complexed with NADPH and… | x-ray diffraction | A, B | — | — |
| 3M08 | Wild Type Dihydrofolate Reductase from Staphylococcus aureus with inhibitor RAB1 | x-ray diffraction | A | — | — |
| 3M08 | Wild type dihydrofolate reductase from staphylococcus aureus with inhibitor RAB1 | x-ray diffraction | A | — | — |
| 3M09 | F98Y TMP-resistant Dihydrofolate Reductase from Staphylococcus aureus with inhibitor RAB1 | x-ray diffraction | A | — | — |
| 3M09 | F98Y tmp-resistant dihydrofolate reductase from staphylococcus aureus with inhibitor RAB1 | x-ray diffraction | A | — | — |
| 3SGY | Staphylococcus aureus Dihydrofolate Reductase complexed with NADPH and… | x-ray diffraction | A, B | — | — |
| 3SGY | Staphylococcus aureus dihydrofolate reductase complexed with NADPH and… | x-ray diffraction | A, B | — | — |
| 3SH2 | Staphylococcus aureus Dihydrofolate Reductase complexed with NADPH and… | x-ray diffraction | A, B | — | — |
| 3SH2 | Staphylococcus aureus dihydrofolate reductase complexed with NADPH and… | x-ray diffraction | A, B | — | — |
| 3SQY | S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines | x-ray diffraction | X | — | — |
| 3SQY | S. aureus dihydrofolate reductase complexed with novel 7-aryl-2,4- diaminoquinazolines | x-ray diffraction | X | — | — |
| 3SR5 | S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines | x-ray diffraction | X | — | — |
| 3SR5 | S. aureus dihydrofolate reductase complexed with novel 7-aryl-2,4- diaminoquinazolines | x-ray diffraction | X | — | — |
| 3SRQ | S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines | x-ray diffraction | X | — | — |
| 3SRQ | S. aureus dihydrofolate reductase complexed with novel 7-aryl-2,4- diaminoquinazolines | x-ray diffraction | X | — | — |
| 3SRR | S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines | x-ray diffraction | X | — | — |
| 3SRR | S. aureus dihydrofolate reductase complexed with novel 7-aryl-2,4- diaminoquinazolines | x-ray diffraction | X | — | — |
| 3SRS | S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines | x-ray diffraction | X | — | — |
| 3SRS | S. aureus dihydrofolate reductase complexed with novel 7-aryl-2,4- diaminoquinazolines | x-ray diffraction | X | — | — |
| 3SRU | S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines | x-ray diffraction | X | — | — |
| 3SRU | S. aureus dihydrofolate reductase complexed with novel 7-aryl-2,4- diaminoquinazolines | x-ray diffraction | X | — | — |
| 3SRW | S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines | x-ray diffraction | X | — | — |
| 3SRW | S. aureus dihydrofolate reductase complexed with novel 7-aryl-2,4- diaminoquinazolines | x-ray diffraction | X | — | — |
| 4FGG | S. aureus dihydrofolate reductase co-crystallized with propyl-DAP isobutenyl-dihydrophthalazine… | x-ray diffraction | A | — | — |
| 4FGG | S. aureus dihydrofolate reductase co-crystallized with propyl-dap isobutenyl-dihydrophthalazine… | x-ray diffraction | A | — | — |
| 4FGH | S. aureus dihydrofolate reductase co-crystallized with ethyl-DAP isobutenyl-dihydrophthalazine… | x-ray diffraction | A | — | — |
| 4FGH | S. aureus dihydrofolate reductase co-crystallized with ethyl-dap isobutenyl-dihydrophthalazine… | x-ray diffraction | A | — | — |
| 4LAE | Structure-Based Design of New Dihydrofolate Reductase Antibacterial Agents… | x-ray diffraction | X | — | — |
| 4LAE | Structure-based design of new dihydrofolate reductase antibacterial agents… | x-ray diffraction | X | — | — |
| 4LAG | Structure-Based Design of New Dihydrofolate Reductase Antibacterial Agents… | x-ray diffraction | X | — | — |
| 4LAG | Structure-based design of new dihydrofolate reductase antibacterial agents… | x-ray diffraction | X | — | — |
| 4LAH | Structure-Based Design of New Dihydrofolate Reductase Antibacterial Agents… | x-ray diffraction | X | — | — |
| 4LAH | Structure-based design of new dihydrofolate reductase antibacterial agents… | x-ray diffraction | X | — | — |
| 4LEK | Structure-Based Design of New Dihydrofolate Reductase Antibacterial Agents… | x-ray diffraction | X | — | — |
| 4LEK | Structure-based design of new dihydrofolate reductase antibacterial agents… | x-ray diffraction | X | — | — |
30 records more on the page itself.
Ligands
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · in 14 records
- XNP · Tricyclic NADPH · in 5 records
- 06U · 6-ethyl-5-{(3R)-3-[3-methoxy-5-(pyridin-4-yl) phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine · in 3 records
- NDW · alpha-NADPH · in 2 records
- OWJ · (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(3,5-dimethylphenyl) phthalazin-2(1H)-yl]prop-2-en-1-one · in 2 records
- OWV · (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(pentan-3-yl)-3,4-dihydrophthalazin-2(1H)-yl]prop-2-en-1-one · in 2 records
- U06 · 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-4-methoxy-phenyl]benzoic acid · in 2 records
- G8J · 6-ethyl-5-{(3S)-3-[2-methoxy-5-(pyridin-4-yl) phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine · in 1 record
- MMV · 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl) oxy]propoxy}phenyl)propanoic acid · in 1 record
- O71 · (4-{6-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-2H-1,3-benzodioxol-4-yl}phenyl)acetic acid · in 1 record
- OWG · 3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydrophthalazin-2(1H)-yl]propan-1-one · in 1 record
- OWM · (2E)-1-[(1R)-1-cyclopropyl-6,7-dimethoxyphthalazin-2(1H)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2, 3-dimethoxyphenyl}prop-2-en-1-one · in 1 record
- OWP · (2E)-1-[(1S)-1-benzylphthalazin-2(1H)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one · in 1 record
- OWS · (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(4-methylphenyl)phthalazin-2(1H)-yl]prop-2-en-1-one · in 1 record
- R0Y · (2E)-1-[(1S)-1-cyclopropyl-6,7-dimethoxy-3,4-dihydrophthalazin-2(1H)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one · in 1 record
- U75 · 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid · in 1 record
Experiment against prediction
- 6PBO chain X against the predicted model P0A017: TM-score 0.99, RMSD 0.37 Å
- 5JG0 chain X against the predicted model P0A017: TM-score 0.99, RMSD 0.39 Å
- 5HF0 chain X against the predicted model P0A017: TM-score 0.99, RMSD 0.39 Å
- 5HF0 chain X against the predicted model P0A017: TM-score 0.99, RMSD 0.39 Å
- 3SQY chain X against the predicted model P0A017: TM-score 0.99, RMSD 0.40 Å
- 3SQY chain X against the predicted model P0A017: TM-score 0.99, RMSD 0.40 Å
- 5ISP chain X against the predicted model P0A017: TM-score 0.99, RMSD 0.40 Å
- 5ISP chain X against the predicted model P0A017: TM-score 0.99, RMSD 0.40 Å
- 5ISQ chain X against the predicted model P0A017: TM-score 0.99, RMSD 0.41 Å
- 5IST chain X against the predicted model P0A017: TM-score 0.99, RMSD 0.41 Å
Elsewhere
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