› 4ea0

X-ray diffraction
2.12Å resolution

Crystal structure of dehydrosqualene synthase (Crtm) from S. aureus complexed with diphosphate and quinuclidine BPH-651

Released:
DOI: 10.2210/pdb4ea0/pdb
PDB entry 4ea0 coloured by chain, front view.
PDB entry 4ea0 coloured by chain, side view.
PDB entry 4ea0 coloured by chain, top view.
Source organism: Staphylococcus aureus
Primary publication:
Head-to-head prenyl tranferases: anti-infective drug targets.
Lin FY, Liu YL, Li K, Cao R, Zhu W, Axelson J, Pang R, Oldfield E
J Med Chem 55 4367-72 (2012)
PMID: 22486710

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 Chains: A, B
Molecule details ›
Chains: A, B
Length: 287 amino acids
Theoretical weight: 34.36 KDa
Source organism: Staphylococcus aureus
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: A9JQL9 (Residues: 1-287; Coverage: 100%)
Gene name: crtM
Sequence domains: Squalene/phytoene synthase
Structure domains: Farnesyl Diphosphate Synthase

Ligands and Environments

4 bound ligands:
Ligand MG 6 x MG
Ligand POP 2 x POP
Ligand TLA 1 x TLA
Ligand 651 2 x 651
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P3121
Unit cell:
a: 80.324Å b: 80.324Å c: 180.822Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.225 0.222 0.278
Expression system: Escherichia coli BL21

Quick links

Citations

6 review citations

Structural and Chemical Biology of Terpenoid Cyclases.
Christianson DW. (2017)
5 more

2 mentions without citation

Head-to-head prenyl tranferases: anti-infective drug targets.
Lin et al. (2012)
1 more