› 3w9j

X-ray diffraction
3.15Å resolution

Structural basis for the inhibition of bacterial multidrug exporters

Released:
DOI: 10.2210/pdb3w9j/pdb
PDB 3w9j coloured by chain and viewed from the front.
PDB 3w9j coloured by chain and viewed from the side.
PDB 3w9j coloured by chain and viewed from the top.
Source organism: Pseudomonas aeruginosa PAO1
Primary publication:
Structural basis for the inhibition of bacterial multidrug exporters.
Nakashima R, Sakurai K, Yamasaki S, Hayashi K, Nagata C, Hoshino K, Onodera Y, Nishino K, Yamaguchi A
Nature 500 102-6 (2013)
PMID: 23812586

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo trimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Multidrug resistance protein MexB Chains: A, B, C, D, E, F
Molecule details ›
Chains: A, B, C, D, E, F
Length: 1052 amino acids
Theoretical weight: 113.71 KDa
Source organism: Pseudomonas aeruginosa PAO1
Expression system: Escherichia coli
UniProt:
  • Canonical: P52002 (Residues: 1-1046; Coverage: 100%)
Gene names: PA0426, mexB
Sequence domains: AcrB/AcrD/AcrF family
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand LMT 15 x LMT
Ligand P9D 2 x P9D
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL44XU
Spacegroup: P1
Unit cell:
a: 126.204Å b: 137.034Å c: 152.275Å
α: 85.75° β: 68.93° γ: 87.39°
R-values:
R R work R free
0.206 0.202 0.279
Expression system: Escherichia coli

Quick links

Citations

36 review citations

Drug Efflux Pump Inhibitors: A Promising Approach to Counter Multidrug Resistance in Gram-Negative Pathogens by Targeting AcrB Protein from AcrAB-TolC Multidrug Efflux Pump from Escherichia coli.
Alenazy R. (2022)
35 more

12 mentions without citation

Bacterial effluxome as a barrier against antimicrobial agents: structural biology aspects and drug targeting.
Brindangnanam et al. (2022)
11 more