› 4dx7

X-ray diffraction
2.25Å resolution

Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop

Released:
DOI: 10.2210/pdb4dx7/pdb
PDB entry 4dx7 coloured by chain, front view.
PDB entry 4dx7 coloured by chain, side view.
PDB entry 4dx7 coloured by chain, top view.
Source organisms:
Primary publication:
Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop.
Eicher T, Cha HJ, Seeger MA, Brandstätter L, El-Delik J, Bohnert JA, Kern WV, Verrey F, Grütter MG, Diederichs K, Pos KM
Proc Natl Acad Sci U S A 109 5687-92 (2012)
PMID: 22451937

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-542386 (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: 114.74 KDa
Source organism: Escherichia coli K-12
Expression system: Escherichia coli
UniProt:
  • Canonical: P31224 (Residues: 1-1049; Coverage: 100%)
Gene names: JW0451, acrB, acrE, b0462
Sequence domains: AcrB/AcrD/AcrF family
Structure domains:
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
Structure domains: Ankyrin repeat-containing domain

Ligands and Environments

7 bound ligands:
Ligand LMT 7 x LMT
Ligand DM2 3 x DM2
Ligand D12 4 x D12
Ligand D10 4 x D10
Ligand LMU 1 x LMU
Ligand GOL 3 x GOL
Ligand HEX 2 x HEX
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P212121
Unit cell:
a: 145.943Å b: 163.285Å c: 245.766Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.187 0.185 0.227
Expression system: Escherichia coli

Quick links

Citations

39 review citations

Molecular mechanisms of antibiotic resistance.
Blair et al. (2015)
38 more

19 mentions without citation

Structure, Assembly, and Function of Tripartite Efflux and Type 1 Secretion Systems in Gram-Negative Bacteria.
Alav et al. (2021)
18 more