› 5enp

X-ray diffraction
1.9Å resolution

MBX2931 bound structure of bacterial efflux pump.

Released:
DOI: 10.2210/pdb5enp/pdb
PDB entry 5enp coloured by chain, front view.
PDB entry 5enp coloured by chain, side view.
PDB entry 5enp coloured by chain, top view.
Source organisms:
Primary publication:
Molecular basis for inhibition of AcrB multidrug efflux pump by novel and powerful pyranopyridine derivatives.
Sjuts H, Vargiu AV, Kwasny SM, Nguyen ST, Kim HS, Ding X, Ornik AR, Ruggerone P, Bowlin TL, Nikaido H, Pos KM, Opperman TJ
Proc Natl Acad Sci U S A 113 3509-14 (2016)
PMID: 26976576

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero hexamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-151941 (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: 609 amino acids
Theoretical weight: 65.74 KDa
Source organism: Escherichia coli K-12
Expression system: Escherichia coli
UniProt:
  • Canonical: P31224 (Residues: 39-329, 561-869; Coverage: 57%)
Gene names: JW0451, acrB, acrE, b0462
Sequence domains: AcrB/AcrD/AcrF family
Structure domains:
DARPin Chains: D, E, F
Molecule details ›
Chains: D, E, F
Length: 169 amino acids
Theoretical weight: 18.32 KDa
Source organism: synthetic construct
Expression system: Escherichia coli
Structure domains: Ankyrin repeat-containing domain

Ligands and Environments

1 bound ligand:
Ligand 5QF 1 x 5QF
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SOLEIL BEAMLINE PROXIMA 1
Spacegroup: P212121
Unit cell:
a: 108.646Å b: 145.336Å c: 174.218Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.184 0.182 0.222
Expression system: Escherichia coli

Quick links

Citations

30 review citations

Multidrug efflux pumps: structure, function and regulation.
Du et al. (2018)
29 more

3 mentions without citation

Tripartite efflux pumps of the RND superfamily: what did we learn from computational studies?
Athar et al. (2023)
2 more