MolNFT v1 · #22596 · protein
Structural basis of multidrug transport by the acrb multidrug efflux pump
1T9U · Acriflavine resistance protein B: “Structural basis of multidrug transport by the acrb multidrug efflux pump”. X-ray diffraction, 1 ligand (CPF), 9 pockets (best druggability 0.87). MolNFT v1 #22596 on GenesisL1: 3D structure…
- PDB
- 1T9U
- Type
- protein
- Length
- 1,013 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
- 9 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acriflavine resistance protein B | protein | 1013 | 46% helix, 15% strand | P31224 |
Ligands and binding sites
- CPF · 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydroquinoline-3-carboxylic acid · ligand · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1061 | 0.87 | 0.88 | 130 | empty |
| 2 | 153 | 0.61 | 0.85 | 25 | empty |
| 3 | 278 | 0.58 | 0.78 | 34 | empty |
| 4 | 204 | 0.54 | 0.78 | 27 | empty |
| 5 | 164 | 0.50 | 0.78 | 25 | empty |
Compared structures
- 1T9U · Structural Basis of Multidrug Transport by 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 1T9U · PDBe 1T9U · UniProt P31224
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