› 7oum

X-ray diffraction
2.45Å resolution

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero pentamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-151971 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Multidrug efflux pump subunit AcrB Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 1057 amino acids
Theoretical weight: 114.65 KDa
Source organism: Escherichia coli K-12
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P31224 (Residues: 1-1049; Coverage: 100%)
Gene names: JW0451, acrB, acrE, b0462
Sequence domains: AcrB/AcrD/AcrF family
DARPIN Chains: D, E
Molecule details ›
Chains: D, E
Length: 169 amino acids
Theoretical weight: 18.32 KDa
Source organism: synthetic construct
Expression system: Escherichia coli K-12

Ligands and Environments

10 bound ligands:
Ligand LMT 7 x LMT
Ligand C14 1 x C14
Ligand DDQ 2 x DDQ
Ligand GOL 3 x GOL
Ligand 1K8 2 x 1K8
Ligand D10 4 x D10
Ligand EDO 17 x EDO
Ligand SO4 2 x SO4
Ligand OCT 4 x OCT
Ligand LPX 1 x LPX
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SOLEIL BEAMLINE PROXIMA 2
Spacegroup: P212121
Unit cell:
a: 146.214Å b: 161.631Å c: 244.437Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.229 0.228 0.256
Expression systems:
  • Escherichia coli BL21(DE3)
  • Escherichia coli K-12

Quick links

Citations

9 review citations

Update on the Discovery of Efflux Pump Inhibitors against Critical Priority Gram-Negative Bacteria.
Compagne et al. (2023)
8 more