› 3bti

X-ray diffraction
2.85Å resolution

crystal structure of QacR(E58Q) bound to berberine

Released:
DOI: 10.2210/pdb3bti/pdb
PDB entry 3bti coloured by chain, front view.
PDB entry 3bti coloured by chain, side view.
PDB entry 3bti coloured by chain, top view.
Source organism: Staphylococcus aureus subsp. aureus Mu50
Primary publication:
QacR-cation recognition is mediated by a redundancy of residues capable of charge neutralization.
Peters KM, Schuman JT, Skurray RA, Brown MH, Brennan RG, Schumacher MA
Biochemistry 47 8122-9 (2008)
PMID: 18616285

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domains:

Structure analysis Details

Assemblies composition:
homo dimer (preferred)
homo hexadecamer
Assembly name:
PDBe Complex ID:
PDB-CPX-140955 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
HTH-type transcriptional regulator QacR Chains: A, B, D, E
Molecule details ›
Chains: A, B, D, E
Length: 188 amino acids
Theoretical weight: 22.15 KDa
Source organism: Staphylococcus aureus subsp. aureus Mu50
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P0A0N3 (Residues: 1-188; Coverage: 100%)
Gene names: SAVP031, qacR
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand SO4 17 x SO4
Ligand BER 1 x BER
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 4.2.2
Spacegroup: P42212
Unit cell:
a: 171.48Å b: 171.48Å c: 94.4Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.217 0.217 0.275
Expression system: Escherichia coli BL21(DE3)

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Citations

2 review citations

Understanding polyspecificity of multidrug ABC transporters: closing in on the gaps in ABCB1.
Gutmann et al. (2010)
1 more

7 mentions without citation

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Metrangolo et al. (2021)
6 more