UniProt P0A0K8
P0A0K8
P0A0K8 (UniProt P0A0K8): 38 experimental structures and 1 predicted model on GenesisL1, 16 ligands bound. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P0A0K8
- Experimental structures
- 38
- Predicted models
- 1
- Ligands
- 16
Structures
39 records of P0A0K8 in the MolNFT archive: 38 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 3G75 | Crystal structure of Staphylococcus aureus Gyrase B co-complexed with… | x-ray diffraction | A, B | — | — |
| 3G75 | Crystal structure of staphylococcus aureus gyrase B co-complexed with… | x-ray diffraction | A, B | — | — |
| 3G7B | Staphylococcus aureus Gyrase B co-complex with METHYL… | x-ray diffraction | A, B | — | — |
| 3G7B | Staphylococcus aureus gyrase B co-complex with methyl ({5-[4-(4… | x-ray diffraction | A, B | — | — |
| 3TTZ | Crystal structure of a topoisomerase ATPase inhibitor | x-ray diffraction | A, B | — | — |
| 3TTZ | Crystal structure of a topoisomerase ATPase inhibitor | x-ray diffraction | A, B | — | — |
| 3U2D | S. aureus GyrB ATPase domain in complex with small molecule inhibitor | x-ray diffraction | A, B | — | — |
| 3U2D | S. aureus gyrb ATPase domain in complex with small molecule inhibitor | x-ray diffraction | A, B | — | — |
| 3U2K | S. aureus GyrB ATPase domain in complex with a small molecule inhibitor | x-ray diffraction | A, B | — | — |
| 3U2K | S. aureus gyrb ATPase domain in complex with a small molecule inhibitor | x-ray diffraction | A, B | — | — |
| 4PLB | Crystal Structure of S.A. gyrase-AM8191 complex | x-ray diffraction | B, D | — | — |
| 4PLB | Crystal structure of S.A. gyrase-AM8191 complex | x-ray diffraction | B, D | — | — |
| 4URM | Crystal Structure of Staph GyraseB 24kDa in complex with Kibdelomycin | x-ray diffraction | A, B, C, D | — | — |
| 4URM | Crystal structure of staph gyraseb 24KDA in complex with kibdelomycin | x-ray diffraction | A, B, C, D | — | — |
| 4URO | Crystal Structure of Staph GyraseB 24kDa in complex with Novobiocin | x-ray diffraction | A, B, C, D | — | — |
| 4URO | Crystal structure of staph gyraseb 24KDA in complex with novobiocin | x-ray diffraction | A, B, C, D | — | — |
| 5BS3 | Crystal structure of S.A. gyrase in complex with compound 7 | x-ray diffraction | B, D | — | — |
| 5CPH | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment | x-ray diffraction | A, B | EVO, SO4 | — |
| 5CPH | Crystal structure of the ATP binding domain of S. aureus gyrb complexed with a fragment | x-ray diffraction | A, B | — | — |
| 5CTU | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment | x-ray diffraction | A, B | CL, 54X, MG | — |
| 5CTU | Crystal structure of the ATP binding domain of S. aureus gyrb complexed with a fragment | x-ray diffraction | A, B | — | — |
| 5CTW | Crystal structure of the ATP binding domain of S. aureus gyrb complexed with a fragment | x-ray diffraction | A, B | — | — |
| 5CTX | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment | x-ray diffraction | A, B | 55G, MG | — |
| 5CTX | Crystal structure of the ATP binding domain of S. aureus gyrb complexed with a fragment | x-ray diffraction | A, B | — | — |
| 5CTY | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment | x-ray diffraction | A, B | CL, MG, 55H | — |
| 5CTY | Crystal structure of the ATP binding domain of S. aureus gyrb complexed with a fragment | x-ray diffraction | A, B | — | — |
| 5D6P | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand | x-ray diffraction | A, B | 57U | — |
| 5D6P | Crystal structure of the ATP binding domain of S. aureus gyrb complexed with a ligand | x-ray diffraction | A, B | — | — |
| 5D6Q | Crystal structure of the ATP binding domain of S. aureus gyrb complexed with a ligand | x-ray diffraction | A, B | — | — |
| 5D7C | Crystal structure of the ATP binding domain of S. aureus gyrb complexed with a ligand | x-ray diffraction | A, B | — | — |
| 5D7D | Crystal structure of the ATP binding domain of S. aureus gyrb complexed with a ligand | x-ray diffraction | A, B | — | — |
| 5D7R | Crystal structure of the ATP binding domain of S. aureus gyrb complexed with a ligand | x-ray diffraction | A, B | — | — |
| 5Z9P | Bacterial gyrb ATPase domain in complex with a chemical fragment | x-ray diffraction | A, B | AX7, MG | — |
| 6QX2 | 3.4A structure of benzoisoxazole 3 with S.AUREUS DNA gyrase and DNA | x-ray diffraction | B, D, S, U, b, m, s | JK8 | — |
| 6TCK | Crystal structure of the ATP binding domain of S. aureus gyrb complexed with uld-2 | x-ray diffraction | A, B | N1N, CL, CA | — |
| 6TTG | Crystal structure of the ATP binding domain of S. aureus gyrb complexed with LMD62 | x-ray diffraction | A, B | NWK, CA, CL | — |
| 6Z1A | Ternary complex of staphylococcus aureus DNA gyrase with AMK12 and DNA | x-ray diffraction | B, D | MN, CL, Q52 | — |
| 7MVS | DNA gyrase complexed with uncleaved DNA and compound 7 to 2.6A resolution | x-ray diffraction | A, B | CL, MN, SO4, Y1W | — |
| P0A0K8 | AlphaFold monomer V2.0 prediction for DNA gyrase subunit B (P0A0K8) | predicted | A | — | — |
Ligands
- CL · Chloride ion · in 6 records
- MG · Magnesium ion · in 4 records
- CA · Calcium ion · in 2 records
- MN · Manganese (II) ion · in 2 records
- SO4 · Sulfate ion · in 2 records
- 54X · 5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4(1H)-one · in 1 record
- 55G · 4-phenyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one · in 1 record
- 55H · 3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one · in 1 record
- 57U · 1-ethyl-3-[4-(hydroxymethyl)-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]urea · in 1 record
- AX7 · 1H-benzimidazol-2-amine · in 1 record
- EVO · (3E)-3-(pyridin-3-ylmethylidene)-1,3-dihydro-2H-indol-2-one · in 1 record
- JK8 · (2~{R})-2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-phenyl-ethanamine · 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
- NWK · 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-(2-morpholin-4-ylethoxy)-1,3-benzothiazole-6-carboxylic acid · in 1 record
- Q52 · ~{N}-[(4-chlorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine · in 1 record
- Y1W · (1S)-2-[(2R,5S)-5-{[(2,3-dihydro-1,4-benzodioxin-6-yl) methyl]amino}-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxyquinolin-4-yl)ethan-1-ol · in 1 record
Experiment against prediction
- 4URO chain C against the predicted model P0A0K8: TM-score 0.99, RMSD 0.37 Å
- 4URO chain C against the predicted model P0A0K8: TM-score 0.99, RMSD 0.37 Å
- 4URO chain D against the predicted model P0A0K8: TM-score 0.99, RMSD 0.44 Å
- 4URO chain D against the predicted model P0A0K8: TM-score 0.99, RMSD 0.44 Å
- 4URO chain B against the predicted model P0A0K8: TM-score 0.99, RMSD 0.46 Å
- 4URO chain B against the predicted model P0A0K8: TM-score 0.99, RMSD 0.46 Å
- 4URO chain A against the predicted model P0A0K8: TM-score 0.99, RMSD 0.48 Å
- 4URO chain A against the predicted model P0A0K8: TM-score 0.99, RMSD 0.48 Å
- 3G7B chain A against the predicted model P0A0K8: TM-score 0.99, RMSD 0.55 Å
- 3G7B chain A against the predicted model P0A0K8: TM-score 0.99, RMSD 0.55 Å
Elsewhere
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