› 1rkw

X-ray diffraction
2.62Å resolution

CRYSTAL STRUCTURE OF THE MULTIDRUG BINDING TRANSCRIPTIONAL REPRESSOR QACR BOUND TO PENTAMADINE

Released:
DOI: 10.2210/pdb1rkw/pdb
PDB 1rkw coloured by chain and viewed from the front.
PDB 1rkw coloured by chain and viewed from the side.
PDB 1rkw coloured by chain and viewed from the top.
Source organism: Staphylococcus aureus
Primary publication:
Crystal structures of QacR-diamidine complexes reveal additional multidrug-binding modes and a novel mechanism of drug charge neutralization.
Murray DS, Schumacher MA, Brennan RG
J. Biol. Chem. 279 14365-71 (2004)
PMID: 14726520

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (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: 194 amino acids
Theoretical weight: 22.98 KDa
Source organism: Staphylococcus aureus
Expression system: Escherichia coli
UniProt:
  • Canonical: P0A0N4 (Residues: 1-188; Coverage: 100%)
Gene names: SAP100B_005, SAP104C_022, qacR
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand SO4 22 x SO4
Ligand PNT 1 x PNT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL11-1
Spacegroup: P42212
Unit cell:
a: 172.05Å b: 172.05Å c: 94.43Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.225 0.224 0.275
Expression system: Escherichia coli

Quick links

Citations

9 review citations

Hexamidine salts - applications in skin health and personal care products.
Parisi et al. (2017)
8 more

3 mentions without citation

The TetR family of transcriptional repressors.
Ramos et al. (2005)
2 more