UniProt Q99XG5
DNA gyrase subunit A (Q99XG5)
DNA gyrase subunit A (UniProt Q99XG5), EC 5.6.2.2, 5.99.1.3: 45 experimental structures and 1 predicted model on GenesisL1, 18 ligands bound, 132 pockets. Binding sites, druggability and experiment against prediction (TM-score)…
- UniProt
- Q99XG5
- Protein
- DNA gyrase subunit A
- EC
- 5.6.2.2, 5.99.1.3
- Experimental structures
- 45
- Predicted models
- 1
- Ligands
- 18
- Pockets
- 132 · 9 records with a druggable one
Structures
46 records of Q99XG5 in the MolNFT archive: 45 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 | A, C | — | — |
| 5CDN | 2.8A structure of etoposide with S.AUREUS DNA gyrase and DNA | x-ray diffraction | A, C, R, T | — | — |
| 5CDO | 3.15A structure of qpt-1 with S.AUREUS DNA gyrase and DNA | x-ray diffraction | A, C, R, T | — | — |
| 5CDP | 2.45A structure of etoposide with S.aureus DNA gyrase and DNA | x-ray diffraction | A, C | NA, MN, EVP | 14 (best 0.84) |
| 5CDP | 2.45A structure of etoposide with S.AUREUS DNA gyrase and DNA | x-ray diffraction | A, C | — | — |
| 5CDQ | 2.95A structure of moxifloxacin with S.AUREUS DNA gyrase and DNA | x-ray diffraction | A, C, R, T | — | — |
| 5CDR | 2.65 structure of S.aureus DNA gyrase and artificially nicked DNA | x-ray diffraction | A, C | MN | 14 (best 0.78) |
| 5CDR | 2.65 structure of S.AUREUS DNA gyrase and artificially nicked DNA | x-ray diffraction | A, C | — | — |
| 5IWI | 1.98A structure of GSK945237 with S.aureus DNA gyrase and singly nicked DNA | x-ray diffraction | A, C | CL, MN, 6EJ | — |
| 5IWI | 1.98A structure of GSK945237 with S.AUREUS DNA gyrase and singly nicked DNA | x-ray diffraction | A, C | — | — |
| 5IWM | 2.5A structure of GSK945237 with S.aureus DNA gyrase and DNA. | x-ray diffraction | A, C | 6EJ | 14 (best 0.77) |
| 5IWM | 2.5A structure of GSK945237 with S.AUREUS DNA gyrase and DNA. | x-ray diffraction | A, C | — | — |
| 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 | A, C, a, c | SO4, E32 | — |
| 6FQM | 3.06A complex of S.AUREUS gyrase with imidazopyrazinone T1 and DNA | x-ray diffraction | A, C, a, c | SO4, E32 | — |
| 6FQS | 3.11A complex of S.Aureus gyrase with imidazopyrazi T3 and DNA | x-ray diffraction | A, C | NA, SO4, E3E | — |
| 6FQS | 3.11A complex of S.AUREUS gyrase with imidazopyrazinone T3 and DNA | x-ray diffraction | A, C | NA, SO4, E3E | — |
| 6FQV | 2.60A binary complex of S.AUREUS gyrase with uncleaved DNA | — | — | — | |
| 6QTK | 2.31A structure of gepotidacin with S.aureus DNA gyrase and doubly nicked DNA | x-ray diffraction | A, C | NA, JHN | 12 (best 0.76) |
| 6QTK | 2.31A structure of gepotidacin with S.AUREUS DNA gyrase and doubly nicked DNA | x-ray diffraction | A, C | NA, JHN | — |
| 6QTP | 2.37A structure of gepotidacin with S.AUREUS DNA gyrase and uncleaved DNA | x-ray diffraction | A, C | MN, SO4, JHN | — |
| 6QX1 | 2.7A structure of benzoisoxazole 3 with S.aureus DNA gyrase and DNA. | x-ray diffraction | A, C | JK8, GLY, CL | 12 (best 0.83) |
| 6QX1 | 2.7A structure of benzoisoxazole 3 with S.AUREUS DNA gyrase and DNA. | x-ray diffraction | A, C | JK8, CL | — |
| 6QX2 | 3.4A structure of benzoisoxazole 3 with S.aureus DNA gyrase and DNA | x-ray diffraction | A, C, J, L, R, T, a, c, j, l, r, t | JK8 | 20 (best 0.83) |
| 6QX2 | 3.4A structure of benzoisoxazole 3 with S.AUREUS DNA gyrase and DNA | x-ray diffraction | A, C, J, L, R, T, a, c, j, l, r, t | JK8 | — |
| 7MVS | DNA gyrase complexed with uncleaved DNA and Compound 7 to 2.6A resolution | x-ray diffraction | A, B | CL, MN, SO4, Y1W | 18 (best 0.84) |
| 7MVS | DNA gyrase complexed with uncleaved DNA and compound 7 to 2.6A resolution | x-ray diffraction | A, B | CL, MN, SO4, Y1W | — |
| 8BP2 | 2.8A structure of zoliflodacin with S.AUREUS DNA gyrase and DNA | x-ray diffraction | AAA, CCC | NA, MN, R8U | 14 (best 0.81) |
| Q99XG5 | AlphaFold monomer V2.0 prediction for DNA gyrase subunit a (Q99XG5) | predicted | A | — | — |
Ligands
- MN · Manganese (II) ion · in 13 records
- NA · Sodium ion · in 10 records
- SO4 · Sulfate ion · in 9 records
- CL · Chloride ion · in 7 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 4 records
- JK8 · (2~{R})-2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-phenyl-ethanamine · in 4 records
- JHN · (3~{R})-3-[[4-(3,4-dihydro-2~{H}-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-1,4,7-triazatricyclo[6.3.1.0^{4,12}]dodeca-6,8(12),9-triene-5,11-dione · in 3 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
- 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
- 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 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
- GLY · Glycine · in 1 record
- R8U · Zoliflodacin · in 1 record
Experiment against prediction
- 5CDQ chain A against the predicted model Q99XG5: TM-score 0.99, RMSD 0.65 Å
- 5CDN chain A against the predicted model Q99XG5: TM-score 0.99, RMSD 0.67 Å
- 6QX2 chain l against the predicted model Q99XG5: TM-score 0.99, RMSD 0.70 Å
- 6FQM chain A against the predicted model Q99XG5: TM-score 0.99, RMSD 0.76 Å
- 6FQM chain A against the predicted model Q99XG5: TM-score 0.99, RMSD 0.76 Å
- 6QX2 chain R against the predicted model Q99XG5: TM-score 0.99, RMSD 0.72 Å
- 6QX2 chain R against the predicted model Q99XG5: TM-score 0.99, RMSD 0.72 Å
- 5CDO chain A against the predicted model Q99XG5: TM-score 0.99, RMSD 0.76 Å
- 6QX2 chain j against the predicted model Q99XG5: TM-score 0.99, RMSD 0.78 Å
- 6QX2 chain T against the predicted model Q99XG5: TM-score 0.99, RMSD 0.79 Å
Elsewhere
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