› 1xpm

X-ray diffraction
1.6Å resolution

Crystal Structure of Staphylococcus aureus HMG-COA Synthase with HMG-CoA and Acetoacetyl-COA and Acetylated Cysteine

Released:
DOI: 10.2210/pdb1xpm/pdb
PDB entry 1xpm coloured by chain, front view.
PDB entry 1xpm coloured by chain, side view.
PDB entry 1xpm 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

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-102029 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3-hydroxy-3-methylglutaryl CoA synthase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 396 amino acids
Theoretical weight: 44.34 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 4 x HMG

Cofactor: Ligand CAA 4 x CAA
1 bound ligand:
Ligand SO4 8 x SO4
1 modified residue:
Ligand SCY 4 x SCY

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-BM
Spacegroup: P21
Unit cell:
a: 65.119Å b: 118.774Å c: 121.304Å
α: 90° β: 90.08° γ: 90°
R-values:
R R work R free
0.21 0.21 0.226
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

1 mention without citation

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