› 4f6x

X-ray diffraction
1.98Å resolution

Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1112

Released:
DOI: 10.2210/pdb4f6x/pdb
PDB entry 4f6x coloured by chain, front view.
PDB entry 4f6x coloured by chain, side view.
PDB entry 4f6x coloured by chain, top view.
Source organism: Staphylococcus aureus
Primary publication:
HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis.
Zhang Y, Li K, Zhu W, Liu YL, Cao R, Pang R, Lee E, Axelson J, Hensler M, Wang K, Molohon KJ, Wang Y, Mitchell DA, Nizet V, Oldfield E
ACS Med Chem Lett 3 402-406 (2012)
PMID: 22662288

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: 292 amino acids
Theoretical weight: 34.72 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

3 bound ligands:
Ligand ZYL 1 x ZYL
Ligand MG 3 x MG
Ligand TAR 1 x TAR
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: P3221
Unit cell:
a: 80.194Å b: 80.194Å c: 91.333Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.204 0.202 0.238
Expression system: Escherichia coli BL21

Quick links

Citations

3 review citations

Resistance-resistant antibiotics.
Oldfield et al. (2014)
2 more