› 1xpk

X-ray diffraction
2Å resolution

CRYSTAL STRUCTURE OF STAPHYLOCOCCUS AUREUS HMG-COA SYNTHASE WITH HMG-CoA AND WITH ACETOACETYL-COA AND ACETYLATED CYSTEINE

Released:
DOI: 10.2210/pdb1xpk/pdb
PDB entry 1xpk coloured by chain, front view.
PDB entry 1xpk coloured by chain, side view.
PDB entry 1xpk coloured by chain, top view.
Source organism: Staphylococcus aureus
Primary publication:
3-hydroxy-3-methylglutaryl-CoA synthase intermediate complex observed in "real-time".
Theisen MJ, Misra I, Saadat D, Campobasso N, Miziorko HM, Harrison DH
Proc Natl Acad Sci U S A 101 16442-7 (2004)
PMID: 15498869

Function and Biology Details

Reaction catalysed: 
Acetyl-CoA + H(2)O + acetoacetyl-CoA = (S)-3-hydroxy-3-methylglutaryl-CoA + CoA
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assemblies composition:
homo dimer
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-102028 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
3-hydroxy-3-methylglutaryl CoA synthase Chains: A, B, D
Molecule details ›
Chains: A, B, D
Length: 388 amino acids
Theoretical weight: 43.29 KDa
Source organism: Staphylococcus aureus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A0A0H3K1U2 (Residues: 1-388; Coverage: 100%)
Gene name: mvaS
Sequence domains:
Structure domains: Peroxisomal Thiolase; Chain A, domain 1
3-hydroxy-3-methylglutaryl CoA synthase Chain: C
Molecule details ›
Chain: C
Length: 388 amino acids
Theoretical weight: 43.25 KDa
Source organism: Staphylococcus aureus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A0A0H3K1U2 (Residues: 1-388; Coverage: 100%)
Gene name: mvaS
Sequence domains:
Structure domains: Peroxisomal Thiolase; Chain A, domain 1

Ligands and Environments


Cofactor: Ligand HMG 3 x HMG

Cofactor: Ligand CAA 3 x CAA
1 bound ligand:
Ligand SO4 8 x SO4
1 modified residue:
Ligand SCY 3 x SCY

Experiments and Validation Details

Entry percentile scores
Spacegroup: P1
Unit cell:
a: 64.271Å b: 84.612Å c: 94.633Å
α: 84.25° β: 72.52° γ: 70.44°
R-values:
R R work R free
0.198 0.198 0.234
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

5 review citations

Enzymes of the mevalonate pathway of isoprenoid biosynthesis.
Miziorko HM. (2011)
4 more

4 mentions without citation

3-hydroxy-3-methylglutaryl-CoA synthase intermediate complex observed in "real-time".
Theisen et al. (2004)
3 more