› 1y7u

X-ray diffraction
2.8Å resolution

Crystal Structure of Acyl-Coa hydrolase from Bacillus cereus

Released:
DOI: 10.2210/pdb1y7u/pdb
PDB entry 1y7u coloured by chain, front view.
PDB entry 1y7u coloured by chain, side view.
PDB entry 1y7u coloured by chain, top view.
Source organism: Bacillus cereus
Entry authors: Kim Y, Li H, Collart F, Joachimiak A, Midwest Center for Structural Genomics (MCSG)

Function and Biology Details

Reaction catalysed: 
Acyl-CoA + H(2)O = CoA + a carboxylate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo hexamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-182499 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
HotDog ACOT-type domain-containing protein Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 174 amino acids
Theoretical weight: 19.9 KDa
Source organism: Bacillus cereus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q81EE4 (Residues: 1-171; Coverage: 100%)
Gene name: BC_2038
Sequence domains: Thioesterase superfamily
Structure domains: Hotdog Thioesterase

Ligands and Environments


Cofactor: Ligand COA 3 x COA
2 bound ligands:
Ligand CA 1 x CA
Ligand SO4 3 x SO4
1 modified residue:
Ligand MSE 18 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P43212
Unit cell:
a: 123.553Å b: 123.553Å c: 126.581Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.197 0.197 0.242
Expression system: Escherichia coli BL21(DE3)

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