Research workbench
Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with EBL2888
Analyse Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7PQM
- Type
- protein
- Length
- 369 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.55
- Source
- Acinetobacter baumannii 1419130
- Molecule
- DNA gyrase subunit B
- EC
- 5.6.2.2
- UniProt
- A0A009KIJ4
- Ligands
- 80S, CA
- Pockets
- 3 · best druggability 0.61
Structure
x-ray diffraction · resolution 1.55 · 2 distinct chains · 31% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA gyrase subunit B (EC 5.6.2.2) | protein | 184 | 30% helix, 32% strand | A0A009KIJ4 |
| B | DNA gyrase subunit B (EC 5.6.2.2) | protein | 185 | 31% helix, 32% strand | A0A009KIJ4 |
Ligands and binding sites
- 80S · 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 180 | 0.61 | 0.83 | 39 | empty |
| 2 | 154 | 0.51 | 0.79 | 22 | 80S |
| 3 | 98 | 0.46 | 0.79 | 20 | 80S |
Interfaces
1 interface between chains.
- A–B · 538 Ų buried · 8 hydrogen bonds · protein-protein
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt A0A009KIJ4
- Elsewhere: RCSB PDB 7PQM · PDBe 7PQM · UniProt A0A009KIJ4
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