MolNFT v1 · #97233 · protein
Crystal structure of acrb complexed with linezolid at 3.5 resolution
4K7Q · Acriflavine resistance protein B: “Crystal structure of acrb complexed with linezolid at 3.5 resolution”. X-ray diffraction, 1 ligand (ZLD), 10 pockets (best druggability 0.87). MolNFT v1 #97233 on GenesisL1: 3D structure, binding…
- PDB
- 4K7Q
- Type
- protein
- Length
- 1,011 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acriflavine resistance protein B
- UniProt
- P31224
- Ligands
- ZLD
- Pockets
- 10 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acriflavine resistance protein B | protein | 1011 | 49% helix, 18% strand | P31224 |
Ligands and binding sites
- ZLD · N-{[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 952 | 0.87 | 0.88 | 104 | empty |
| 2 | 144 | 0.60 | 0.85 | 22 | empty |
| 3 | 200 | 0.57 | 0.79 | 25 | empty |
| 4 | 197 | 0.53 | 0.78 | 23 | empty |
| 5 | 101 | 0.46 | 0.79 | 25 | empty |
Compared structures
- 4K7Q · Crystal Structure of AcrB Complexed with Linezolid at 3.5 Resolution · 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 4K7Q · PDBe 4K7Q · UniProt P31224
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