Research workbench
The structure of the efflux pump acrb in complex with bile acid
Analyse The structure of the efflux pump acrb in complex with bile acid in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2W1B
- Type
- protein
- Length
- 1,032 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acriflavin resistance protein B
- UniProt
- P31224
- Ligands
- DXC
- Pockets
- 12 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acriflavin resistance protein B | protein | 1032 | 47% helix, 14% strand | P31224 |
Ligands and binding sites
- DXC · (3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 986 | 0.86 | 0.88 | 118 | empty |
| 2 | 262 | 0.67 | 0.83 | 32 | empty |
| 3 | 140 | 0.49 | 0.77 | 18 | empty |
| 4 | 55 | 0.45 | 0.84 | 15 | empty |
| 5 | 53 | 0.45 | 0.84 | 19 | empty |
Compared structures
- 2W1B · The structure of the efflux pump AcrB in complex with bile acid · 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 2W1B · PDBe 2W1B · UniProt P31224
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