› 5ent

X-ray diffraction
2.5Å resolution

Minocycline bound structure of bacterial efflux pump.

Released:
DOI: 10.2210/pdb5ent/pdb
PDB entry 5ent coloured by chain, front view.
PDB entry 5ent coloured by chain, side view.
PDB entry 5ent 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:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
hetero hexamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-151945 (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
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

Ligands and Environments

2 bound ligands:
Ligand MIY 1 x MIY
Ligand PEG 1 x PEG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Spacegroup: P212121
Unit cell:
a: 109.557Å b: 145.409Å c: 175.612Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.196 0.193 0.248
Expression system: Escherichia coli

Quick links

Citations

31 review citations

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

3 mentions without citation

Molecular basis for inhibition of AcrB multidrug efflux pump by novel and powerful pyranopyridine derivatives.
Sjuts et al. (2016)
2 more