› 6zo9

X-ray diffraction
2.7Å resolution

Binding of two rifabutins to the access pocket of AcrB-G621P T protomer

Released:
DOI: 10.2210/pdb6zo9/pdb
PDB entry 6zo9 coloured by chain, front view.
PDB entry 6zo9 coloured by chain, side view.
PDB entry 6zo9 coloured by chain, top view.
Source organisms:
Primary publication:
Allosteric drug transport mechanism of multidrug transporter AcrB.
Tam HK, Foong WE, Oswald C, Herrmann A, Zeng H, Pos KM
OpenAccess logo Nat Commun 12 3889 (2021)
PMID: 34188038

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-151957 (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: 114.78 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

13 bound ligands:
Ligand D12 3 x D12
Ligand LMT 6 x LMT
Ligand PTY 3 x PTY
Ligand GOL 3 x GOL
Ligand EDO 4 x EDO
Ligand DDR 1 x DDR
Ligand HEX 2 x HEX
Ligand OCT 3 x OCT
Ligand SO4 2 x SO4
Ligand RBT 2 x RBT
Ligand C14 1 x C14
Ligand D10 2 x D10
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SOLEIL BEAMLINE PROXIMA 1
Spacegroup: P212121
Unit cell:
a: 147.165Å b: 160.519Å c: 244.078Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.243 0.241 0.274
Expression systems:
  • Escherichia coli BL21(DE3)
  • Escherichia coli K-12

Quick links

Citations

8 review citations

Molecular mechanisms of antibiotic resistance revisited.
Darby et al. (2023)
7 more

1 mention without citation

Allosteric drug transport mechanism of multidrug transporter AcrB.
Tam et al. (2021)