› 2wya

X-ray diffraction
1.7Å resolution

CRYSTAL STRUCTURE OF HUMAN MITOCHONDRIAL 3-HYDROXY-3-METHYLGLUTARYL- COENZYME A SYNTHASE 2 (HMGCS2)

Released:
DOI: 10.2210/pdb2wya/pdb
PDB entry 2wya coloured by chain, front view.
PDB entry 2wya coloured by chain, side view.
PDB entry 2wya coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal structures of human HMG-CoA synthase isoforms provide insights into inherited ketogenesis disorders and inhibitor design.
Shafqat N, Turnbull A, Zschocke J, Oppermann U, Yue WW
J Mol Biol 398 497-506 (2010)
PMID: 20346956

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:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-157118 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Hydroxymethylglutaryl-CoA synthase, mitochondrial Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 460 amino acids
Theoretical weight: 51.32 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P54868 (Residues: 49-508; Coverage: 91%)
Gene name: HMGCS2
Sequence domains:
Structure domains: Peroxisomal Thiolase; Chain A, domain 1

Ligands and Environments


Cofactor: Ligand HMG 4 x HMG
1 bound ligand:
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P1
Unit cell:
a: 66.41Å b: 83.514Å c: 101.442Å
α: 100° β: 108.08° γ: 96.3°
R-values:
R R work R free
0.162 0.161 0.184
Expression system: Escherichia coli BL21(DE3)

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Citations

6 review citations

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

10 mentions without citation

From structural biology to designing therapy for inborn errors of metabolism.
Yue WW. (2016)
9 more