X-ray diffraction
1.84Å resolution

Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with BPH-702

Source organism: Staphylococcus aureus
Primary publication:
Mechanism of action and inhibition of dehydrosqualene synthase.
Proc. Natl. Acad. Sci. U.S.A. 107 21337-42 (2010)
PMID: 21098670

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
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
  • 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:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSRRC BEAMLINE BL13C1
Spacegroup: P3221
Unit cell:
a: 80.494Å b: 80.494Å c: 90.788Å
α: 90° β: 90° γ: 120°
R R work R free
0.169 0.167 0.218
Expression system: Escherichia coli