› 1zrm

X-ray diffraction
2Å resolution

CRYSTAL STRUCTURE OF THE REACTION INTERMEDIATE OF L-2-HALOACID DEHALOGENASE WITH 2-CHLORO-N-BUTYRATE

Released:
DOI: 10.2210/pdb1zrm/pdb
PDB entry 1zrm coloured by chain, front view.
PDB entry 1zrm coloured by chain, side view.
PDB entry 1zrm coloured by chain, top view.
Source organism: Pseudomonas sp. YL
Primary publication:
Crystal structures of reaction intermediates of L-2-haloacid dehalogenase and implications for the reaction mechanism.
Li YF, Hata Y, Fujii T, Hisano T, Nishihara M, Kurihara T, Esaki N
J Biol Chem 273 15035-44 (1998)
PMID: 9614112

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 domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-176056 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
(S)-2-haloacid dehalogenase Chain: A
Molecule details ›
Chain: A
Length: 232 amino acids
Theoretical weight: 26.19 KDa
Source organism: Pseudomonas sp. YL
Expression system: Escherichia coli
UniProt:
  • Canonical: Q53464 (Residues: 1-232; Coverage: 100%)
Sequence domains: haloacid dehalogenase-like hydrolase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand BUA 1 x BUA
No modified residues

Experiments and Validation Details

Entry percentile scores
Spacegroup: C2
Unit cell:
a: 90.99Å b: 62.94Å c: 50.95Å
α: 90° β: 122.7° γ: 90°
R-values:
R R work R free
0.204 0.204 0.287
Expression system: Escherichia coli

Quick links

Citations

9 review citations

Structure and mechanism of Na,K-ATPase: functional sites and their interactions.
Jorgensen et al. (2003)
8 more

3 mentions without citation

Topological variation in the evolution of new reactions in functionally diverse enzyme superfamilies.
Meng et al. (2011)
2 more