UniProt Q9I7C2
DNA gyrase subunit B (Q9I7C2)
DNA gyrase subunit B (UniProt Q9I7C2), EC 5.6.2.2: 3 experimental structures and 1 predicted model on GenesisL1, 7 ligands bound, 2 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- Q9I7C2
- Protein
- DNA gyrase subunit B
- EC
- 5.6.2.2
- Experimental structures
- 3
- Predicted models
- 1
- Ligands
- 7
- Pockets
- 2 · 1 record with a druggable one
Structures
4 records of Q9I7C2 in the MolNFT archive: 3 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 6M1J | The DNA gyrase B ATP binding domain of pseudomonas aeruginosa in complex with compound 12X | x-ray diffraction | A, B | SO4, NA, EZ6 | — |
| 6M1S | The DNA gyrase B ATP binding domain of pseudomonas aeruginosa in complex with compound 12O | x-ray diffraction | A, B | EZ9, SO4, CL | — |
| 8BN6 | Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with EBL3021 | x-ray diffraction | A | CA, R53 | 2 (best 0.59) |
| Q9I7C2 | AlphaFold monomer V2.0 prediction for DNA gyrase subunit B (Q9I7C2) | predicted | A | — | — |
Ligands
- SO4 · Sulfate ion · in 2 records
- CA · Calcium ion · in 1 record
- CL · Chloride ion · in 1 record
- EZ6 · 1-[5-[6-fluoranyl-8-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid · in 1 record
- EZ9 · 3-[5-[8-(ethylamino)-6-fluoranyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]oxy-2,2-dimethyl-propanoic acid · in 1 record
- NA · Sodium ion · in 1 record
- R53 · 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-morpholin-4-yl-1,3-benzothiazole-6-carboxylic acid · in 1 record
Experiment against prediction
- 6M1S chain A against the predicted model Q9I7C2: TM-score 0.98, RMSD 0.73 Å
- 6M1J chain B against the predicted model Q9I7C2: TM-score 0.98, RMSD 0.86 Å
- 6M1J chain A against the predicted model Q9I7C2: TM-score 0.95, RMSD 1.57 Å
- 6M1S chain B against the predicted model Q9I7C2: TM-score 0.92, RMSD 1.73 Å
- 8BN6 chain A against the predicted model Q9I7C2: TM-score 0.91, RMSD 1.79 Å
Elsewhere
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