UniProt P0AES4
DNA gyrase subunit A (P0AES4)
DNA gyrase subunit A (UniProt P0AES4), EC 5.6.2.2, 5.6.2.3: 18 experimental structures and 1 predicted model on GenesisL1, 6 ligands bound, 190 pockets. Binding sites, druggability and experiment against prediction (TM-score) in…
- UniProt
- P0AES4
- Protein
- DNA gyrase subunit A
- EC
- 5.6.2.2, 5.6.2.3
- Experimental structures
- 18
- Predicted models
- 1
- Ligands
- 6
- Pockets
- 190 · 12 records with a druggable one
Structures
19 records of P0AES4 in the MolNFT archive: 18 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 | A | — | — |
| 3NUH | A domain insertion in E. COLI gyrb adopts a novel fold that plays a critical role in gyrase function | x-ray diffraction | A | — | — |
| 6RKS | E. coli DNA Gyrase - DNA binding and cleavage domain in State 1 without TOPRIM insertion | electron microscopy | A, C | JHN | 17 (best 0.83) |
| 6RKS | E. COLI DNA gyrase - DNA binding and cleavage domain in state 1 without toprim insertion | electron microscopy | A, C | JHN | — |
| 6RKU | E. coli DNA Gyrase - DNA binding and cleavage domain in State 1 | electron microscopy | A, C | JHN | 18 (best 0.83) |
| 6RKU | E. COLI DNA gyrase - DNA binding and cleavage domain in state 1 | electron microscopy | A, C | JHN | — |
| 6RKV | E. coli DNA Gyrase - DNA binding and cleavage domain in State 2 | electron microscopy | A, C | — | 17 (best 0.83) |
| 6RKV | E. COLI DNA gyrase - DNA binding and cleavage domain in state 2 | electron microscopy | A, C | — | — |
| 6RKW | CryoEM structure of the complete E. coli DNA Gyrase complex bound to a 130 bp DNA duplex | electron microscopy | A, C | JHN | 15 (best 0.82) |
| 6RKW | Cryoem structure of the complete E. COLI DNA gyrase complex bound to a 130 bp DNA duplex | electron microscopy | A, C | JHN | — |
| 7Z9C | E.coli gyrase holocomplex with 217 bp DNA and albicidin | electron microscopy | A, C | BWH | 15 (best 0.80) |
| 7Z9G | E.coli gyrase holocomplex with 217 bp DNA and Albi-2 | electron microscopy | A, C | IM0 | 13 (best 0.83) |
| 7Z9K | E.coli gyrase holocomplex with 217 bp DNA and Albi-1 (site TG) | electron microscopy | A, C | IL1 | 15 (best 0.83) |
| 7Z9M | E.coli gyrase holocomplex with 217 bp DNA and Albi-1 (site AA) | electron microscopy | A, C | IL1 | 15 (best 0.83) |
| 8QDX | E. coli DNA gyrase bound to a DNA crossover | electron microscopy | A, C | — | 17 (best 0.84) |
| 8QQS | E. coli DNA gyrase bound to a linear part of a DNA minicircle | electron microscopy | A, C | — | 16 (best 0.79) |
| 9GBV | E.coli gyrase holocomplex with chirally wrapped 217 bp DNA fragment | electron microscopy | A, C | — | 17 (best 0.82) |
| 9GGQ | E.coli gyrase holocomplex with cleaved chirally wrapped 217 bp DNA fragment and moxifloxacin | electron microscopy | A, C | MG, MFX | 15 (best 0.81) |
| P0AES4 | AlphaFold monomer V2.0 prediction for DNA gyrase subunit a (P0AES4) | predicted | A | — | — |
Ligands
- 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 6 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
- BWH · albicidin · in 1 record
- IM0 · 4-[[3-(2-azanylethoxy)-2-oxidanyl-4-[[5-[[(2~{S})-2-[[4-[(6-oxidanylnaphthalen-2-yl)carbonylamino]phenyl]carbonylamino]-3-(1~{H}-1,2,3-triazol-4-yl)propanoyl]amino]pyridin-2-yl]carbonylamino]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid · in 1 record
- MFX · 1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid · in 1 record
- MG · Magnesium ion · in 1 record
Experiment against prediction
- 8QQS chain C against the predicted model P0AES4: TM-score 0.98, RMSD 1.27 Å
- 8QQS chain A against the predicted model P0AES4: TM-score 0.98, RMSD 1.34 Å
- 8QDX chain A against the predicted model P0AES4: TM-score 0.97, RMSD 1.34 Å
- 7Z9K chain A against the predicted model P0AES4: TM-score 0.96, RMSD 1.60 Å
- 7Z9K chain C against the predicted model P0AES4: TM-score 0.96, RMSD 1.61 Å
- 7Z9M chain A against the predicted model P0AES4: TM-score 0.96, RMSD 1.62 Å
- 7Z9M chain C against the predicted model P0AES4: TM-score 0.96, RMSD 1.64 Å
- 7Z9G chain A against the predicted model P0AES4: TM-score 0.96, RMSD 1.64 Å
- 7Z9G chain C against the predicted model P0AES4: TM-score 0.96, RMSD 1.66 Å
- 7Z9C chain A against the predicted model P0AES4: TM-score 0.96, RMSD 1.71 Å
Elsewhere
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