MolNFT v1 · #52453 · protein
The structure of the efflux pump acrb in complex with bile acid
2W1B · Acriflavin resistance protein B: “The structure of the efflux pump acrb in complex with bile acid”. X-ray diffraction, 1 ligand (DXC), 12 pockets (best druggability 0.86). MolNFT v1 #52453 on GenesisL1: 3D structure, binding sites…
- 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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