› 2zcq

X-ray diffraction
2.38Å resolution

Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with bisphosphonate BPH-652

Released:
DOI: 10.2210/pdb2zcq/pdb
PDB entry 2zcq coloured by chain, front view.
PDB entry 2zcq coloured by chain, side view.
PDB entry 2zcq coloured by chain, top view.
Source organism: Staphylococcus aureus
Primary publication:
A cholesterol biosynthesis inhibitor blocks Staphylococcus aureus virulence.
Liu CI, Liu GY, Song Y, Yin F, Hensler ME, Jeng WY, Nizet V, Wang AH, Oldfield E
Science 319 1391-4 (2008)
PMID: 18276850

Function and Biology Details

Reaction catalysed: 
(1a) 2 (2E,6E)-farnesyl diphosphate = diphosphate + presqualene diphosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-108994 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
4,4'-diapophytoene synthase Chain: A
Molecule details ›
Chain: A
Length: 293 amino acids
Theoretical weight: 34.79 KDa
Source organism: Staphylococcus aureus
Expression system: Escherichia coli
UniProt:
  • Canonical: A9JQL9 (Residues: 1-287; Coverage: 100%)
Gene name: crtM
Sequence domains: Squalene/phytoene synthase
Structure domains: Farnesyl Diphosphate Synthase

Ligands and Environments

2 bound ligands:
Ligand B65 1 x B65
Ligand MG 2 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSRRC BEAMLINE BL13B1
Spacegroup: P3221
Unit cell:
a: 80.44Å b: 80.44Å c: 90.04Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.223 0.223 0.27
Expression system: Escherichia coli

Quick links

Citations

68 review citations

Sticking together: building a biofilm the Bacillus subtilis way.
Vlamakis et al. (2013)
67 more

15 mentions without citation

Inhibition of staphyloxanthin virulence factor biosynthesis in Staphylococcus aureus: in vitro, in vivo, and crystallographic results.
Song et al. (2009)
14 more