MolNFT v1 · #141506 · protein
Bacterial gyrb ATPase domain in complex with a chemical fragment
5Z9P · DNA gyrase subunit B: “Bacterial gyrb ATPase domain in complex with a chemical fragment”. X-ray diffraction, 2 ligands (AX7, MG), 2 pockets (best druggability 0.52). MolNFT v1 #141506 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5Z9P
- Type
- protein
- Length
- 371 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA gyrase subunit B
- EC
- 5.99.1.3
- UniProt
- P0A0K8
- Ligands
- AX7, MG
- Pockets
- 2 · best druggability 0.52
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA gyrase subunit B (EC 5.99.1.3) | protein | 188 | 34% helix, 31% strand | P0A0K8 |
| B | DNA gyrase subunit B (EC 5.99.1.3) | protein | 183 | 32% helix, 32% strand | P0A0K8 |
Ligands and binding sites
- AX7 · 1H-benzimidazol-2-amine · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 183 | 0.52 | 0.78 | 30 | AX7, MG |
| 2 | 133 | 0.48 | 0.79 | 22 | AX7 |
Interfaces
1 interface between chains.
- A–B · 254 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
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 P0A0K8
- Elsewhere: RCSB PDB 5Z9P · PDBe 5Z9P · UniProt P0A0K8
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