UniProt P0AES7
DNA gyrase subunit B (P0AES7)
DNA gyrase subunit B (UniProt P0AES7), EC 5.99.1.3: 16 experimental structures and 1 predicted model on GenesisL1, 10 ligands bound, 10 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P0AES7
- Protein
- DNA gyrase subunit B
- EC
- 5.99.1.3
- Experimental structures
- 16
- Predicted models
- 1
- Ligands
- 10
- Pockets
- 10 · 2 records with a druggable one
Structures
17 records of P0AES7 in the MolNFT archive: 16 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 4ZVI | Gyrase B in complex with 4,5-dibromopyrrolamide-based inhibitor | x-ray diffraction | A | 4S4, IOD | 2 (best 0.58) |
| 4ZVI | Gyrase B in complex with 4,5-dibromopyrrolamide-based inhibitor | x-ray diffraction | A | — | — |
| 5MMN | E. coli DNA Gyrase B 24 kDa ATPase domain in complex with… | x-ray diffraction | A | O54 | — |
| 5MMN | E. COLI DNA gyrase B 24 kda ATPase domain in complex with 1-ethyl-3… | x-ray diffraction | A | O54 | — |
| 5MMO | E. coli DNA Gyrase B 24 kDa ATPase domain in complex with… | x-ray diffraction | A | 9JG, PO4 | 3 (best 0.52) |
| 5MMO | E. COLI DNA gyrase B 24 kda ATPase domain in complex with [3-(3-ethyl… | x-ray diffraction | A | 9JG, PO4 | — |
| 5MMP | E. coli DNA Gyrase B 24 kDa ATPase domain in complex with… | x-ray diffraction | A | G3Z | 1 (best 0.47) |
| 5MMP | E. COLI DNA gyrase B 24 kda ATPase domain in complex with 1-ethyl-3… | x-ray diffraction | A | G3Z | — |
| 6F86 | Crystal Structure of E. coli GyraseB 24kDa in complex with… | x-ray diffraction | A | CWW | 1 (best 0.45) |
| 6F86 | Crystal structure of E. COLI gyraseb 24KDA in complex with 4-(4-bromo… | x-ray diffraction | A | CWW | — |
| 6F8J | Crystal Structure of E. coli GyraseB 24kDa in complex with… | x-ray diffraction | A | CZ5 | 1 (best 0.47) |
| 6F8J | Crystal structure of E. COLI gyraseb 24KDA in complex with 6… | x-ray diffraction | A | CZ5 | — |
| 6F94 | Crystal Structure of E. coli GyraseB 24kDa in complex with… | x-ray diffraction | A | D0H | 1 (best 0.46) |
| 6F94 | Crystal structure of E. COLI gyraseb 24KDA in complex with 6… | x-ray diffraction | A | D0H | — |
| 6F96 | Crystal Structure of E. coli GyraseB 24kDa in complex with… | x-ray diffraction | A | D0K | 1 (best 0.45) |
| 6F96 | Crystal structure of E. COLI gyraseb 24KDA in complex with 6… | x-ray diffraction | A | D0K | — |
| P0AES7 | AlphaFold monomer V2.0 prediction for DNA gyrase subunit B (P0AES7) | predicted | A | — | — |
Ligands
- 9JG · prop-2-ynyl ~{N}-[[3-(ethylcarbamoylamino)-5-pyridin-4-yl-isoquinolin-8-yl]methyl]carbamate · in 2 records
- CWW · 4-(4-bromanylpyrazol-1-yl)-6-(ethylcarbamoylamino)-~{N}-pyridin-3-yl-pyridine-3-carboxamide · in 2 records
- CZ5 · 6-(ethylcarbamoylamino)-4-pyrazol-1-yl-~{N}-pyridin-3-yl-pyridine-3-carboxamide · in 2 records
- D0H · 6-(ethylcarbamoylamino)-~{N}-(3-methylphenyl)-4-[(3-methylphenyl)amino]pyridine-3-carboxamide · in 2 records
- D0K · 6-(ethylcarbamoylamino)-4-[(4-methoxyphenyl)amino]-~{N}-pyridin-3-yl-pyridine-3-carboxamide · in 2 records
- G3Z · 1-ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino) isoquinolin-3-yl]urea · in 2 records
- O54 · 1-ethyl-3-[8-methyl-5-(2-methylpyridin-4-yl) isoquinolin-3-yl]urea · in 2 records
- PO4 · Phosphate ion · in 2 records
- 4S4 · N-(4-{[(4,5-dibromo-1H-pyrrol-2-yl)carbonyl]amino}benzoyl)glycine · in 1 record
- IOD · Iodide ion · in 1 record
Experiment against prediction
- 6F86 chain A against the predicted model P0AES7: TM-score 0.97, RMSD 1.05 Å
- 6F86 chain A against the predicted model P0AES7: TM-score 0.97, RMSD 1.05 Å
- 6F94 chain A against the predicted model P0AES7: TM-score 0.97, RMSD 1.06 Å
- 6F94 chain A against the predicted model P0AES7: TM-score 0.97, RMSD 1.06 Å
- 6F8J chain A against the predicted model P0AES7: TM-score 0.97, RMSD 1.11 Å
- 6F8J chain A against the predicted model P0AES7: TM-score 0.97, RMSD 1.11 Å
- 6F96 chain A against the predicted model P0AES7: TM-score 0.97, RMSD 1.12 Å
- 6F96 chain A against the predicted model P0AES7: TM-score 0.97, RMSD 1.12 Å
- 4ZVI chain A against the predicted model P0AES7: TM-score 0.97, RMSD 1.40 Å
- 4ZVI chain A against the predicted model P0AES7: TM-score 0.97, RMSD 1.40 Å
Elsewhere
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