› 2no5

X-ray diffraction
2.6Å resolution

Crystal Structure analysis of a Dehalogenase with intermediate complex

Released:
DOI: 10.2210/pdb2no5/pdb
PDB entry 2no5 coloured by chain, front view.
PDB entry 2no5 coloured by chain, side view.
PDB entry 2no5 coloured by chain, top view.
Source organism: Burkholderia cepacia
Primary publication:
Crystal structures of the substrate free-enzyme, and reaction intermediate of the HAD superfamily member, haloacid dehalogenase DehIVa from Burkholderia cepacia MBA4.
Schmidberger JW, Wilce JA, Tsang JS, Wilce MC
J Mol Biol 368 706-17 (2007)
PMID: 17368477

Function and Biology Details

Reaction catalysed: 
(S)-2-haloacid + H(2)O = (R)-2-hydroxyacid + halide
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assemblies composition:
homo dimer (preferred)
homo tetramer
Assembly name:
PDBe Complex ID:
PDB-CPX-175958 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
(S)-2-haloacid dehalogenase 4A Chains: A, B
Molecule details ›
Chains: A, B
Length: 240 amino acids
Theoretical weight: 27.21 KDa
Source organism: Burkholderia cepacia
Expression system: Escherichia coli
UniProt:
  • Canonical: Q51645 (Residues: 2-231; Coverage: 100%)
Gene name: hdl IVa
Sequence domains: haloacid dehalogenase-like hydrolase
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand CL 1 x CL
Ligand SO4 13 x SO4
Ligand CNR 3 x CNR
1 modified residue:
Ligand ASL 2 x ASL

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P3121
Unit cell:
a: 103.743Å b: 103.743Å c: 134.794Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.199 0.196 0.252
Expression system: Escherichia coli

Quick links

Citations

6 review citations

Bacterial hydrolytic dehalogenases and related enzymes: occurrences, reaction mechanisms, and applications.
Kurihara et al. (2008)
5 more

2 mentions without citation

The Role of Co-chaperones in Synaptic Proteostasis and Neurodegenerative Disease.
Gorenberg et al. (2017)
1 more