UniProt P0AES6
DNA gyrase subunit B (P0AES6)
DNA gyrase subunit B (UniProt P0AES6), EC 5.6.2.2, 5.6.2.3: 54 experimental structures and 1 predicted model on GenesisL1, 27 ligands bound, 119 pockets. Binding sites, druggability and experiment against prediction (TM-score) in…
- UniProt
- P0AES6
- Protein
- DNA gyrase subunit B
- EC
- 5.6.2.2, 5.6.2.3, 5.99.1.3
- Experimental structures
- 54
- Predicted models
- 1
- Ligands
- 27
- Pockets
- 119 · 10 records with a druggable one
Structures
55 records of P0AES6 in the MolNFT archive: 54 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 3NUH | A domain insertion in E. coli GyrB adopts a novel fold that plays a critical role in gyrase function | x-ray diffraction | B | — | — |
| 3NUH | A domain insertion in E. COLI gyrb adopts a novel fold that plays a critical role in gyrase function | x-ray diffraction | B | — | — |
| 4DUH | Crystal structure of 24 kDa domain of E. coli DNA gyrase B in complex with small molecule inhibitor | x-ray diffraction | A, B | — | — |
| 4DUH | Crystal structure of 24 kda domain of E. COLI DNA gyrase B in complex with small molecule inhibitor | x-ray diffraction | A, B | — | — |
| 4HYP | Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided… | x-ray diffraction | A, B, C, D | — | — |
| 4HYP | Pyrrolopyrimidine inhibitors of DNA gyrase B and topoisomerase IV, part I: structure guided… | x-ray diffraction | A, B, C, D | — | — |
| 4KFG | The DNA Gyrase B ATP binding domain of Escherichia coli in complex with a small molecule inhibitor. | x-ray diffraction | A, B | — | — |
| 4KFG | The DNA gyrase B ATP binding domain of escherichia COLI in complex with a small molecule inhibitor. | x-ray diffraction | A, B | — | — |
| 4PRV | E. coli GyrB 43-kDa N-terminal fragment in complex with ADP | x-ray diffraction | A | — | — |
| 4PRV | E. COLI gyrb 43-kda N-terminal fragment in complex with ADP | x-ray diffraction | A | — | — |
| 4PRX | E. coli GyrB 43-kDa N-terminal fragment in complex with ADP+Pi | x-ray diffraction | A | — | — |
| 4PRX | E. COLI gyrb 43-kda N-terminal fragment in complex with ADP+PI | x-ray diffraction | A | — | — |
| 4PU9 | E. coli GyrB 43-kDa N-terminal fragment in complex with ADP-BeF3 | x-ray diffraction | A | — | — |
| 4PU9 | E. COLI gyrb 43-kda N-terminal fragment in complex with ADP-BEF3 | x-ray diffraction | A | — | — |
| 4WUB | N-terminal 43 kDa fragment of the E. coli DNA gyrase B subunit grown from 100 mM KCl condition | x-ray diffraction | A | — | — |
| 4WUB | N-terminal 43 kda fragment of the E. COLI DNA gyrase B subunit grown from 100 mm kcl condition | x-ray diffraction | A | — | — |
| 4WUC | N-terminal 43 kda fragment of the E. COLI DNA gyrase B subunit grown from 100 mm nacl condition | x-ray diffraction | A | — | — |
| 4WUD | N-terminal 43 kDa fragment of the E. coli DNA gyrase B subunit grown from no salt condition | x-ray diffraction | A | — | — |
| 4WUD | N-terminal 43 kda fragment of the E. COLI DNA gyrase B subunit grown from no salt condition | x-ray diffraction | A | — | — |
| 4XTJ | N-terminal 43 kDa fragment of the E. coli DNA gyrase B subunit grown from 100 mM KCl plus 100 mM… | x-ray diffraction | A | — | — |
| 4XTJ | N-terminal 43 kda fragment of the E. COLI DNA gyrase B subunit grown from 100 mm kcl plus 100 mm… | x-ray diffraction | A | — | — |
| 5L3J | Escherichia COLI DNA gyrase B in complex with benzothiazole-based inhibitor | x-ray diffraction | A | 6G9, IOD | — |
| 5L3J | Escherichia COLI DNA gyrase B in complex with benzothiazole-based inhibitor | x-ray diffraction | A | 6G9, IOD | — |
| 5Z4H | Bacterial gyrb ATPase domain in complex with a chemical fragment | x-ray diffraction | A, B | PO4, A8K, AX7 | — |
| 5Z4O | Bacterial GyrB ATPase domain in complex with a chemical fragment | x-ray diffraction | A, B | HX8, PO4, AX7 | 4 (best 0.72) |
| 5Z4O | Bacterial gyrb ATPase domain in complex with a chemical fragment | x-ray diffraction | A, B | HX8, PO4, AX7 | — |
| 5Z9B | Bacterial gyrb ATPase domain in complex with (3,4-dichlorophenyl) hydrazine | x-ray diffraction | A, B | PO4, HX3, AX7 | — |
| 5Z9E | Bacterial gyrb ATPase domain in complex with a chemical fragment | x-ray diffraction | A, B | PO4, 27K, AX7 | — |
| 5Z9F | Bacterial gyrb ATPase domain in complex with a chemical fragment | x-ray diffraction | A, B | PO4, 0R0, AX7 | — |
| 5Z9L | Bacterial gyrb ATPase domain in complex with a chemical fragment | x-ray diffraction | A, B | PO4, 8H8, AX7 | — |
| 5Z9M | Bacterial GyrB ATPase domain in complex with a chemical fragment | x-ray diffraction | A, B | BZ2, SO4 | 2 (best 0.48) |
| 5Z9M | Bacterial gyrb ATPase domain in complex with a chemical fragment | x-ray diffraction | A, B | BZ2, SO4 | — |
| 5Z9N | S.AUREUS gyrb ATPase domain in complex with 4,6-dichloro-2- (METHYLTHIO)PYRIMIDINE | x-ray diffraction | A | HX5, SO4 | — |
| 5Z9Q | Bacterial GyrB ATPase domain in complex with a chemical fragment | x-ray diffraction | A, B | PO4, HX4, AX7 | — |
| 5Z9Q | Bacterial gyrb ATPase domain in complex with a chemical fragment | x-ray diffraction | A, B | PO4, HX4, AX7 | — |
| 6ENG | Crystal structure of the 43K ATPase domain of escherichia COLI gyrase B in complex with an… | x-ray diffraction | A, B | PO4, CL, NA, K, BHW | — |
| 6RKS | E. coli DNA Gyrase - DNA binding and cleavage domain in State 1 without TOPRIM insertion | electron microscopy | B, D | — | 12 (best 0.76) |
| 6RKS | E. COLI DNA gyrase - DNA binding and cleavage domain in state 1 without toprim insertion | electron microscopy | B, D | — | — |
| 6RKU | E. COLI DNA gyrase - DNA binding and cleavage domain in state 1 | electron microscopy | B, D | — | — |
| 6RKV | E. coli DNA Gyrase - DNA binding and cleavage domain in State 2 | electron microscopy | B, D | — | 10 (best 0.83) |
| 6RKV | E. COLI DNA gyrase - DNA binding and cleavage domain in state 2 | electron microscopy | B, D | — | — |
| 6RKW | CryoEM structure of the complete E. coli DNA Gyrase complex bound to a 130 bp DNA duplex | electron microscopy | B, D | ANP | 12 (best 0.84) |
| 6RKW | Cryoem structure of the complete E. COLI DNA gyrase complex bound to a 130 bp DNA duplex | electron microscopy | B, D | ANP | — |
| 6YD9 | Ecoli GyrB24 with inhibitor 16a | x-ray diffraction | A | ON2 | 2 (best 0.52) |
| 6YD9 | Ecoli GYRB24 with inhibitor 16A | x-ray diffraction | A | ON2 | — |
| 7P2M | E.COLI GYRB24 with inhibitor LMD43 (EBL2560) | x-ray diffraction | A | PO4, N1N | — |
| 7P2N | E.COLI GYRB24 with inhibitor LSJ38 (EBL2684) | x-ray diffraction | A | PO4, 4R3 | — |
| 7P2W | E.COLI GYRB24 with inhibitor LMD92 (EBL2682) | x-ray diffraction | A | 4QR, MG | — |
| 7P2X | E.COLI GYRB24 with inhibitor KOB20 (EBL2583) | x-ray diffraction | A | 4Q6, PO4 | — |
| 7Z9C | E.coli gyrase holocomplex with 217 bp DNA and albicidin | electron microscopy | B, D | MG, BWH | 14 (best 0.75) |
| 7Z9K | E.coli gyrase holocomplex with 217 bp DNA and Albi-1 (site TG) | electron microscopy | B, D | IL1, MG | 15 (best 0.83) |
| 7Z9M | E.coli gyrase holocomplex with 217 bp DNA and Albi-1 (site AA) | electron microscopy | B, D | IL1, MG | 15 (best 0.76) |
| 8QQI | E.coli DNA gyrase in complex with 217 bp substrate DNA and LEI-800 | electron microscopy | B, D | MG | 16 (best 0.79) |
| 8QQS | E. coli DNA gyrase bound to a linear part of a DNA minicircle | electron microscopy | B, D | — | 17 (best 0.77) |
| P0AES6 | AlphaFold monomer V2.0 prediction for DNA gyrase subunit B (P0AES6) | predicted | A | — | — |
Ligands
- PO4 · Phosphate ion · in 13 records
- AX7 · 1H-benzimidazol-2-amine · in 9 records
- MG · Magnesium ion · in 5 records
- SO4 · Sulfate ion · in 3 records
- 6G9 · 2-[[2-[[4,5-bis(bromanyl)-1~{H}-pyrrol-2-yl]carbonylamino]-1,3-benzothiazol-6-yl]amino]-2-oxidanylidene-ethanoic acid · in 2 records
- ANP · Phosphoaminophosphonic acid-adenylate ester · in 2 records
- BZ2 · 1-benzofuran-2-carboxylic acid · in 2 records
- HX4 · 5-phenyl-1H-pyrazol-3-amine · in 2 records
- HX8 · 4-phenoxyphenol · in 2 records
- IL1 · 4-[[4-[[5-[[(2S)-2-[[5-[(4-cyanophenyl)carbonylamino]pyridin-2-yl]carbonylamino]-3-(1H-1,2,3-triazol-4-yl)propanoyl]amino]pyridin-2-yl]carbonylamino]-2-oxidanyl-3-propan-2-yloxy-phenyl]carbonylamino]benzoic acid · in 2 records
- IOD · Iodide ion · in 2 records
- ON2 · N-[6-(3-azanylpropanoylamino)-1,3-benzothiazol-2-yl]-3, 4-bis(chloranyl)-5-methyl-1H-pyrrole-2-carboxamide · in 2 records
- 0R0 · 2-hydroxybenzonitrile · in 1 record
- 27K · Butyl 4-hydroxybenzoate · in 1 record
- 4Q6 · (2Z)-2-[[4,5-bis(bromanyl)-1H-pyrrol-2-yl]carbonylimino]-3-(phenylmethyl)-1,3-benzothiazole-6-carboxylic acid · in 1 record
- 4QR · 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(3-carboxyphenyl)methoxy]-1,3-benzothiazole-6-carboxylic acid · in 1 record
- 4R3 · 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-5-oxidanyl-1,3-benzothiazole-6-carboxylic acid · in 1 record
- 8H8 · 2-fluoro-4-hydroxybenzonitrile · in 1 record
- A8K · 4-(4-hydroxyphenyl)sulfanylphenol · in 1 record
- BHW · Coumermycin A1 · in 1 record
- BWH · albicidin · in 1 record
- CL · Chloride ion · in 1 record
- HX3 · (3,4-dichlorophenyl)hydrazine · in 1 record
- HX5 · 4,6-dichloro-2-(methylsulfanyl)pyrimidine · in 1 record
- K · Potassium ion · in 1 record
- N1N · 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid · in 1 record
- NA · Sodium ion · in 1 record
Experiment against prediction
- 5Z9M chain B against the predicted model P0AES6: TM-score 0.99, RMSD 0.60 Å
- 5Z9M chain B against the predicted model P0AES6: TM-score 0.99, RMSD 0.60 Å
- 5Z9M chain A against the predicted model P0AES6: TM-score 0.99, RMSD 0.61 Å
- 5Z9M chain A against the predicted model P0AES6: TM-score 0.99, RMSD 0.61 Å
- 5Z9Q chain A against the predicted model P0AES6: TM-score 0.98, RMSD 0.75 Å
- 5Z9Q chain A against the predicted model P0AES6: TM-score 0.98, RMSD 0.75 Å
- 4DUH chain B against the predicted model P0AES6: TM-score 0.97, RMSD 1.05 Å
- 4DUH chain B against the predicted model P0AES6: TM-score 0.97, RMSD 1.05 Å
- 5Z9Q chain B against the predicted model P0AES6: TM-score 0.97, RMSD 1.08 Å
- 5Z9Q chain B against the predicted model P0AES6: TM-score 0.97, RMSD 1.08 Å
Elsewhere
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