PDBe 3bpt

X-ray diffraction
1.5Å resolution

Crystal structure of human beta-hydroxyisobutyryl-CoA hydrolase in complex with quercetin

Released:
Source organism: Homo sapiens
Entry authors: Pilka ES, Phillips C, King ONF, Guo K, von Delft F, Pike ACW, Arrowsmith CH, Weigelt J, Edwards AM, Oppermann U, Structural Genomics Consortium (SGC)

Function and Biology Details

Reaction catalysed:
3-hydroxy-2-methylpropanoyl-CoA + H(2)O = CoA + 3-hydroxy-2- methylpropanoate. 
Biochemical function:
Cellular component:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3-hydroxyisobutyryl-CoA hydrolase, mitochondrial Chain: A
Molecule details ›
Chain: A
Length: 363 amino acids
Theoretical weight: 41.08 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q6NVY1 (Residues: 32-386; Coverage: 92%)
Gene name: HIBCH
Sequence domains: Enoyl-CoA hydratase/isomerase

Ligands and Environments

2 bound ligands:

1 modified residue:

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P21
Unit cell:
a: 44.096Å b: 76.642Å c: 55.789Å
α: 90° β: 108.24° γ: 90°
R-values:
R R work R free
0.149 0.147 0.197
Expression system: Escherichia coli