› 1lo7

X-ray diffraction
1.5Å resolution

X-ray structure of 4-Hydroxybenzoyl CoA Thioesterase complexed with 4-hydroxyphenacyl CoA

Released:
DOI: 10.2210/pdb1lo7/pdb
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PDB entry 1lo7 coloured by chain, front view.
PDB entry 1lo7 coloured by chain, side view.
PDB entry 1lo7 coloured by chain, top view.
Source organism: Pseudomonas sp. CBS3
Primary publication:
X-ray crystallographic analyses of inhibitor and substrate complexes of wild-type and mutant 4-hydroxybenzoyl-CoA thioesterase.
Thoden JB, Holden HM, Zhuang Z, Dunaway-Mariano D
J Biol Chem 277 27468-76 (2002)
PMID: 11997398

Function and Biology Details

Reaction catalysed: 
4-hydroxybenzoyl-CoA + H(2)O = 4-hydroxybenzoate + CoA
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domain:
Structure domain:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-157514 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
4-hydroxybenzoyl-CoA thioesterase Chain: A
Molecule details ›
Chain: A
Length: 141 amino acids
Theoretical weight: 16.14 KDa
Source organism: Pseudomonas sp. CBS3
Expression system: Escherichia coli
UniProt:
  • Canonical: P56653 (Residues: 1-141; Coverage: 100%)
Sequence domains: Thioesterase-like superfamily
Structure domains: Hotdog Thioesterase

Ligands and Environments


Cofactor: Ligand 4CO 1 x 4CO
1 bound ligand:
Ligand EDO 2 x EDO
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: APS BEAMLINE 19-ID
Spacegroup: I222
Unit cell:
a: 51.5Å b: 55.2Å c: 93.5Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.163 0.161 0.198
Expression system: Escherichia coli

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Citations

2 review citations

Enzyme promiscuity: engine of evolutionary innovation.
Pandya et al. (2014)
1 more

11 mentions without citation

Thioesterases: a new perspective based on their primary and tertiary structures.
Cantu et al. (2010)
10 more

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