UniProt P66937
DNA gyrase subunit B (P66937)
DNA gyrase subunit B (UniProt P66937), EC 5.6.2.2, 5.99.1.3: 39 experimental structures and 1 predicted model on GenesisL1, 15 ligands bound, 49 pockets. Binding sites, druggability and experiment against prediction (TM-score) in…
- UniProt
- P66937
- Protein
- DNA gyrase subunit B
- EC
- 5.6.2.2, 5.99.1.3
- Experimental structures
- 39
- Predicted models
- 1
- Ligands
- 15
- Pockets
- 49 · 5 records with a druggable one
Structures
40 records of P66937 in the MolNFT archive: 39 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2XCO | The 3.1A crystal structure of the catalytic core (B'A' region) of Staphylococcus aureus DNA Gyrase | x-ray diffraction | A | — | — |
| 2XCO | The 3.1A crystal structure of the catalytic core (B'A' region) of staphylococcus aureus DNA gyrase | x-ray diffraction | A | — | — |
| 2XCQ | The 2.98A crystal structure of the catalytic core (B'A' region) of Staphylococcus aureus DNA Gyrase | x-ray diffraction | A | — | — |
| 2XCQ | The 2.98A crystal structure of the catalytic core (B'A' region) of staphylococcus aureus DNA gyrase | x-ray diffraction | A | — | — |
| 2XCR | The 3.5A crystal structure of the catalytic core (B'A' region) of Staphylococcus aureus DNA Gyrase… | x-ray diffraction | B, D, S, U | — | — |
| 2XCR | The 3.5A crystal structure of the catalytic core (B'A' region) of staphylococcus aureus DNA gyrase… | x-ray diffraction | B, D, S, U | — | — |
| 2XCS | The 2.1A crystal structure of S. aureus Gyrase complex with GSK299423 and DNA | x-ray diffraction | B, D | — | — |
| 2XCS | The 2.1A crystal structure of S. aureus gyrase complex with GSK299423 and DNA | x-ray diffraction | B, D | — | — |
| 2XCT | The twinned 3.35A structure of S. aureus Gyrase complex with Ciprofloxacin and DNA | x-ray diffraction | B, D, S, U | — | — |
| 2XCT | The twinned 3.35A structure of S. aureus gyrase complex with ciprofloxacin and DNA | x-ray diffraction | B, D, S, U | — | — |
| 4BUL | Novel hydroxyl tricyclics (e.g. GSK966587) as potent inhibitors of bacterial type IIA topoisomerases | x-ray diffraction | A, C | — | — |
| 4BUL | Novel hydroxyl tricyclics (E.G. GSK966587) as potent inhibitors of bacterial type iia topoisomerases | x-ray diffraction | A, C | — | — |
| 5CDM | 2.5A structure of qpt-1 with S.AUREUS DNA gyrase and DNA | x-ray diffraction | B, D | — | — |
| 5CDN | 2.8A structure of etoposide with S.AUREUS DNA gyrase and DNA | x-ray diffraction | B, D, S, U | — | — |
| 5CDO | 3.15A structure of qpt-1 with S.AUREUS DNA gyrase and DNA | x-ray diffraction | B, D, S, U | — | — |
| 5CDP | 2.45A structure of etoposide with S.aureus DNA gyrase and DNA | x-ray diffraction | B, D | MN, EVP | 9 (best 0.84) |
| 5CDP | 2.45A structure of etoposide with S.AUREUS DNA gyrase and DNA | x-ray diffraction | B, D | — | — |
| 5CDQ | 2.95A structure of moxifloxacin with S.AUREUS DNA gyrase and DNA | x-ray diffraction | B, D, S, U | — | — |
| 5CDR | 2.65 structure of S.AUREUS DNA gyrase and artificially nicked DNA | x-ray diffraction | B, D | — | — |
| 5IWI | 1.98A structure of GSK945237 with S.aureus DNA gyrase and singly nicked DNA | x-ray diffraction | B, D | MN | — |
| 5IWI | 1.98A structure of GSK945237 with S.AUREUS DNA gyrase and singly nicked DNA | x-ray diffraction | B, D | — | — |
| 5IWM | 2.5A structure of GSK945237 with S.AUREUS DNA gyrase and DNA. | x-ray diffraction | B, D | — | — |
| 5NPK | 1.98A structure of THIOPHENE1 with S.AUREUS DNA gyrase and DNA | x-ray diffraction | B, D, b, d | MN, 94H, CL, SO4, NA, 9JN | — |
| 5NPK | 1.98A structure of THIOPHENE1 with S.AUREUS DNA gyrase and DNA | x-ray diffraction | B, D, b, d | MN, 94H, CL, SO4, NA, 9JN | — |
| 5NPP | 2.22A structure of THIOPHENE2 and GSK945237 with S.AUREUS DNA gyrase and DNA | x-ray diffraction | B, D | MN, 94K, NA, 6EJ | — |
| 5NPP | 2.22A structure of THIOPHENE2 and GSK945237 with S.AUREUS DNA gyrase and DNA | x-ray diffraction | B, D | MN, 94K, NA, 6EJ | — |
| 6FM4 | The crystal structure of S. aureus Gyrase complex with ID-130 and DNA | x-ray diffraction | B, D | MN, DU5, 5UA | 14 (best 0.84) |
| 6FM4 | The crystal structure of S. aureus gyrase complex with id-130 and DNA | x-ray diffraction | B, D | MN, DU5 | — |
| 6FQM | 3.06A COMPLEX OF S.AUREUS GYRASE with imidazopyrazi T1 AND DNA | x-ray diffraction | B, D, b, d | MN, E32 | — |
| 6FQM | 3.06A complex of S.AUREUS gyrase with imidazopyrazinone T1 and DNA | x-ray diffraction | B, D, b, d | MN, E32 | — |
| 6FQS | 3.11A complex of S.Aureus gyrase with imidazopyrazi T3 and DNA | x-ray diffraction | B, D | MN, E3E | — |
| 6FQS | 3.11A complex of S.AUREUS gyrase with imidazopyrazinone T3 and DNA | x-ray diffraction | B, D | MN, E3E | — |
| 6QTK | 2.31A structure of gepotidacin with S.aureus DNA gyrase and doubly nicked DNA | x-ray diffraction | B, D | MN | 11 (best 0.75) |
| 6QTK | 2.31A structure of gepotidacin with S.AUREUS DNA gyrase and doubly nicked DNA | x-ray diffraction | B, D | MN | — |
| 6QTP | 2.37A structure of gepotidacin with S.AUREUS DNA gyrase and uncleaved DNA | x-ray diffraction | B, D | MN, NA | — |
| 6QX1 | 2.7A structure of benzoisoxazole 3 with S.AUREUS DNA gyrase and DNA. | x-ray diffraction | B, D | MN, JK8 | — |
| 6QX2 | 3.4A structure of benzoisoxazole 3 with S.aureus DNA gyrase and DNA | x-ray diffraction | K, M, d, k, u | JK8 | 5 (best 0.83) |
| 6QX2 | 3.4A structure of benzoisoxazole 3 with S.AUREUS DNA gyrase and DNA | x-ray diffraction | K, M, d, k, u | JK8 | — |
| 8BP2 | 2.8A structure of zoliflodacin with S.AUREUS DNA gyrase and DNA | x-ray diffraction | BBB, DDD | MN, R8U | 10 (best 0.81) |
| P66937 | AlphaFold monomer V2.0 prediction for DNA gyrase subunit B (P66937) | predicted | A | — | — |
Ligands
- MN · Manganese (II) ion · in 17 records
- NA · Sodium ion · in 5 records
- JK8 · (2~{R})-2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-phenyl-ethanamine · in 3 records
- 6EJ · (1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one · in 2 records
- 94H · ~{N}-[(1~{R})-2-azanyl-1-phenyl-ethyl]-4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide · in 2 records
- 94K · ~{N}-[(1~{R})-2-azanyl-1-phenyl-ethyl]-5-(2-chlorophenyl)-2-methyl-thiophene-3-carboxamide · in 2 records
- 9JN · ~{N}-[(1~{S})-2-azanyl-1-phenyl-ethyl]-4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide · in 2 records
- CL · Chloride ion · in 2 records
- DU5 · ~{N}-[3-(4-isoquinolin-1-ylpiperazin-1-yl) propyl]benzamide · in 2 records
- E32 · 7-[(3~{S})-3-azanylpyrrolidin-1-yl]-5-cyclopropyl-8-fluoranyl-imidazo[1,2-a]quinoxalin-4-one · in 2 records
- E3E · 5-cyclopropyl-8-fluoranyl-7-pyridin-4-yl-imidazo[1,2-a]quinoxalin-4-one · in 2 records
- SO4 · Sulfate ion · in 2 records
- 5UA · 5'-O-carboxy-2'-deoxyadenosine · in 1 record
- EVP · (5s,5ar,8ar,9r)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5A,6,8,8A,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside · in 1 record
- R8U · Zoliflodacin · in 1 record
Experiment against prediction
- 6QX2 chain d against the predicted model P66937: TM-score 0.99, RMSD 0.58 Å
- 6QX2 chain d against the predicted model P66937: TM-score 0.99, RMSD 0.58 Å
- 6QX2 chain K against the predicted model P66937: TM-score 0.99, RMSD 0.62 Å
- 6QX2 chain K against the predicted model P66937: TM-score 0.99, RMSD 0.62 Å
- 6QX1 chain B against the predicted model P66937: TM-score 0.99, RMSD 0.66 Å
- 6QX2 chain k against the predicted model P66937: TM-score 0.99, RMSD 0.64 Å
- 6QX2 chain k against the predicted model P66937: TM-score 0.99, RMSD 0.64 Å
- 6QX2 chain u against the predicted model P66937: TM-score 0.99, RMSD 0.64 Å
- 6QX2 chain u against the predicted model P66937: TM-score 0.99, RMSD 0.64 Å
- 6QX2 chain d against the predicted model Q6GKU0: TM-score 0.99, RMSD 0.63 Å
Elsewhere
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