› 2p8u

X-ray diffraction
2Å resolution

Crystal structure of human 3-hydroxy-3-methylglutaryl CoA synthase I

Released:
DOI: 10.2210/pdb2p8u/pdb
PDB entry 2p8u coloured by chain, front view.
PDB entry 2p8u coloured by chain, side view.
PDB entry 2p8u 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:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-169602 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Hydroxymethylglutaryl-CoA synthase, cytoplasmic Chains: A, B
Molecule details ›
Chains: A, B
Length: 478 amino acids
Theoretical weight: 53.33 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q01581 (Residues: 16-470; Coverage: 88%)
Gene names: HMGCS, HMGCS1
Sequence domains:
Structure domains: Peroxisomal Thiolase; Chain A, domain 1

Ligands and Environments


Cofactor: Ligand COA 2 x COA
1 bound ligand:
Ligand GOL 1 x GOL
1 modified residue:
Ligand SCY 2 x SCY

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P43212
Unit cell:
a: 92.762Å b: 92.762Å c: 235.532Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.161 0.159 0.202
Expression system: Escherichia coli

Quick links

Citations

6 review citations

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

2 mentions without citation

Archaeal acetoacetyl-CoA thiolase/HMG-CoA synthase complex channels the intermediate via a fused CoA-binding site.
Vögeli et al. (2018)
1 more