UniProt P0AC14
Dihydropteroate synthase (P0AC14)
Dihydropteroate synthase (UniProt P0AC14), EC 2.5.1.15: 22 experimental structures and 1 predicted model on GenesisL1, 15 ligands bound, 7 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P0AC14
- Protein
- Dihydropteroate synthase
- EC
- 2.5.1.15
- Experimental structures
- 22
- Predicted models
- 1
- Ligands
- 15
- Pockets
- 7 · 2 records with a druggable one
Structures
23 records of P0AC14 in the MolNFT archive: 22 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5U0V | E. coli dihydropteroate synthase complexed with 6-methylamino-5-nitrosoisocytosine | x-ray diffraction | A, B | 7VJ, NA | — |
| 5U0V | E. COLI dihydropteroate synthase complexed with 6-methylamino-5- nitrosoisocytosine | x-ray diffraction | A, B | 7VJ, NA | — |
| 5U0W | E. coli dihydropteroate synthase complexed with 9-methylguanine | x-ray diffraction | A, B | 9MG | — |
| 5U0W | E. COLI dihydropteroate synthase complexed with 9-methylguanine | x-ray diffraction | A, B | 9MG | — |
| 5U0Y | E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative… | x-ray diffraction | A, B | 7PJ | — |
| 5U0Y | E. COLI dihydropteroate synthase complexed with an 8-mercaptoguanine derivative… | x-ray diffraction | A, B | 7PJ | — |
| 5U0Z | E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative | x-ray diffraction | A, B | 7PM | — |
| 5U0Z | E. COLI dihydropteroate synthase complexed with an 8-mercaptoguanine derivative | x-ray diffraction | A, B | 7PM | — |
| 5U10 | E. coli dihydropteroate synthase complexed with pteroic acid | x-ray diffraction | A, B | PO4, PT1 | — |
| 5U10 | E. COLI dihydropteroate synthase complexed with pteroic acid | x-ray diffraction | A, B | PO4, PT1 | — |
| 5U11 | E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative… | x-ray diffraction | A, B | 7PS | — |
| 5U11 | E. COLI dihydropteroate synthase complexed with an 8-mercaptoguanine derivative… | x-ray diffraction | A, B | 7PS | — |
| 5U12 | E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative… | x-ray diffraction | A, B | 5RU | — |
| 5U12 | E. COLI dihydropteroate synthase complexed with an 8-mercaptoguanine derivative… | x-ray diffraction | A, B | 5RU | — |
| 5U13 | E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative… | x-ray diffraction | A, B | YH5 | — |
| 5U13 | E. COLI dihydropteroate synthase complexed with an 8-mercaptoguanine derivative… | x-ray diffraction | A, B | YH5 | — |
| 5U14 | E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative… | x-ray diffraction | A, B | 7PV | — |
| 5U14 | E. COLI dihydropteroate synthase complexed with an 8-mercaptoguanine derivative… | x-ray diffraction | A, B | 7PV | — |
| 5V79 | E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative… | x-ray diffraction | A, B | 8Y4, NO3 | 4 (best 0.60) |
| 5V79 | E. COLI dihydropteroate synthase complexed with an 8-mercaptoguanine derivative… | x-ray diffraction | A, B | 8Y4, NO3 | — |
| 5V7A | E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative… | x-ray diffraction | A, B | 8Y7, CL | 3 (best 0.65) |
| 5V7A | E. COLI dihydropteroate synthase complexed with an 8-mercaptoguanine derivative… | x-ray diffraction | A, B | 8Y7, CL | — |
| P0AC14 | AlphaFold monomer V2.0 prediction for dihydropteroate synthase (P0AC14) | predicted | A | — | — |
Ligands
- 5RU · 2-azanyl-8-[(2-fluorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one · in 2 records
- 7PJ · [(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetic acid · in 2 records
- 7PM · (2R)-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl](phenyl)acetic acid · in 2 records
- 7PS · 2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-methylacetamide · in 2 records
- 7PV · 4-{2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]ethyl}benzene-1-sulfonamide · in 2 records
- 7VJ · 2-amino-6-(methylamino)-5-nitrosopyrimidin-4(3H)-one · in 2 records
- 8Y4 · 2-[(2-amino-9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl) sulfanyl]-N-phenylacetamide · in 2 records
- 8Y7 · [(2-amino-9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl) sulfanyl]acetic acid · in 2 records
- 9MG · 9-methylguanine · in 2 records
- CL · Chloride ion · in 2 records
- NA · Sodium ion · in 2 records
- NO3 · Nitrate ion · in 2 records
- PO4 · Phosphate ion · in 2 records
- PT1 · Pteroic acid · in 2 records
- YH5 · 2-amino-8-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,9-dihydro-6H-purin-6-one · in 2 records
Experiment against prediction
- 5V79 chain A against the predicted model P0AC14: TM-score 0.99, RMSD 0.47 Å
- 5V79 chain A against the predicted model P0AC14: TM-score 0.99, RMSD 0.47 Å
- 5V7A chain A against the predicted model P0AC14: TM-score 0.99, RMSD 0.53 Å
- 5V7A chain A against the predicted model P0AC14: TM-score 0.99, RMSD 0.53 Å
- 5V79 chain B against the predicted model P0AC14: TM-score 0.99, RMSD 0.49 Å
- 5V79 chain B against the predicted model P0AC14: TM-score 0.99, RMSD 0.49 Å
- 5V7A chain B against the predicted model P0AC14: TM-score 0.99, RMSD 0.56 Å
- 5V7A chain B against the predicted model P0AC14: TM-score 0.99, RMSD 0.56 Å
- 5U0V chain B against the predicted model P0AC14: TM-score 0.99, RMSD 0.57 Å
- 5U0V chain B against the predicted model P0AC14: TM-score 0.99, RMSD 0.57 Å
Elsewhere
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