› 6q4p

X-ray diffraction
2.8Å resolution

Fusidic acid bound AcrB_N298A

Released:
DOI: 10.2210/pdb6q4p/pdb
PDB entry 6q4p coloured by chain, front view.
PDB entry 6q4p coloured by chain, side view.
PDB entry 6q4p coloured by chain, top view.
Source organisms:
Primary publication:
Binding and Transport of Carboxylated Drugs by the Multidrug Transporter AcrB.
Tam HK, Malviya VN, Foong WE, Herrmann A, Malloci G, Ruggerone P, Vargiu AV, Pos KM
J Mol Biol 432 861-877 (2020)
PMID: 31881208

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-151949 (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: 114.69 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 BL21(DE3)

Ligands and Environments

14 bound ligands:
Ligand LMT 10 x LMT
Ligand D12 3 x D12
Ligand DDQ 6 x DDQ
Ligand GOL 6 x GOL
Ligand HEX 2 x HEX
Ligand FUA 1 x FUA
Ligand PTY 2 x PTY
Ligand DDR 1 x DDR
Ligand OCT 3 x OCT
Ligand CL 5 x CL
Ligand SO4 2 x SO4
Ligand D10 1 x D10
Ligand C14 1 x C14
Ligand ETE 1 x ETE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SOLEIL BEAMLINE PROXIMA 1
Spacegroup: P212121
Unit cell:
a: 146.222Å b: 162.632Å c: 245.467Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.212 0.211 0.247
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

9 review citations

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

4 mentions without citation

Structural Insights into Transporter-Mediated Drug Resistance in Infectious Diseases.
Kim et al. (2021)
3 more