MolNFT v1 · #17598 · protein
Structural basis of multiple binding capacity of the acrb multidrug efflux pump
1OYE · Acriflavine resistance protein B: “Structural basis of multiple binding capacity of the acrb multidrug efflux pump”. X-ray diffraction, 1 ligand (CPF), 11 pockets (best druggability 0.82). MolNFT v1 #17598 on GenesisL1: 3D…
- PDB
- 1OYE
- Type
- protein
- Length
- 1,006 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acriflavine resistance protein B
- UniProt
- P31224
- Ligands
- CPF
- Pockets
- 11 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acriflavine resistance protein B | protein | 1006 | 47% helix, 16% strand | P31224 |
Ligands and binding sites
- CPF · 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydroquinoline-3-carboxylic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 550 | 0.82 | 0.87 | 57 | empty |
| 2 | 722 | 0.80 | 0.84 | 75 | empty |
| 3 | 233 | 0.65 | 0.83 | 35 | empty |
| 4 | 266 | 0.58 | 0.78 | 33 | empty |
| 5 | 228 | 0.56 | 0.78 | 31 | empty |
Compared structures
- 1OYE · Structural Basis of Multiple Binding Capacity of the AcrB multidrug Efflux Pump · the same entry in another collection · chain A against A, TM-score 1.00
- P31224 · AlphaFold monomer V2.0 prediction for multidrug efflux pump subunit acrb (P31224) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 P31224
- Elsewhere: RCSB PDB 1OYE · PDBe 1OYE · UniProt P31224
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