› 1jxz

X-ray diffraction
1.9Å resolution

Structure of the H90Q mutant of 4-Chlorobenzoyl-Coenzyme A Dehalogenase complexed with 4-hydroxybenzoyl-Coenzyme A (product)

Released:
DOI: 10.2210/pdb1jxz/pdb
PDB entry 1jxz coloured by chain, front view.
PDB entry 1jxz coloured by chain, side view.
PDB entry 1jxz coloured by chain, top view.
Source organism: Pseudomonas sp. CBS3
Primary publication:
Histidine 90 function in 4-chlorobenzoyl-coenzyme a dehalogenase catalysis.
Zhang W, Wei Y, Luo L, Taylor KL, Yang G, Dunaway-Mariano D, Benning MM, Holden HM
Biochemistry 40 13474-82 (2001)
PMID: 11695894

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-107646 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
4-chlorobenzoyl coenzyme A dehalogenase Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 269 amino acids
Theoretical weight: 29.89 KDa
Source organism: Pseudomonas sp. CBS3
Expression system: Escherichia coli
UniProt:
  • Canonical: A5JTM5 (Residues: 1-269; Coverage: 100%)
Sequence domains: Enoyl-CoA hydratase/isomerase
Structure domains:

Ligands and Environments


Cofactor: Ligand BCA 3 x BCA
2 bound ligands:
Ligand CA 3 x CA
Ligand PO4 1 x PO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: P21212
Unit cell:
a: 108.1Å b: 102.7Å c: 90.7Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.195 0.195 not available
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Bacterial degradation of xenobiotic compounds: evolution and distribution of novel enzyme activities.
Janssen et al. (2005)
2 more

1 mention without citation

Domain swapping in the low-similarity isomerase/hydratase superfamily: the crystal structure of rat mitochondrial Delta3, Delta2-enoyl-CoA isomerase.
Hubbard et al. (2005)