› 3bpt

X-ray diffraction
1.5Å resolution

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

Released:
DOI: 10.2210/pdb3bpt/pdb
PDB entry 3bpt coloured by chain, front view.
PDB entry 3bpt coloured by chain, side view.
PDB entry 3bpt coloured by chain, top view.
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:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-180074 (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
Structure domains: 2-enoyl-CoA Hydratase; Chain A, domain 1

Ligands and Environments

2 bound ligands:
Ligand QUE 1 x QUE
Ligand HIU 1 x HIU
1 modified residue:
Ligand MSE 11 x MSE

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

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