› 1ede

X-ray diffraction
1.9Å resolution

REFINED X-RAY STRUCTURES OF HALOALKANE DEHALOGENASE AT PH 6.2 AND PH 8.2 AND IMPLICATIONS FOR THE REACTION MECHANISM

Released:
DOI: 10.2210/pdb1ede/pdb
PDB entry 1ede coloured by chain, front view.
PDB entry 1ede coloured by chain, side view.
PDB entry 1ede coloured by chain, top view.
Source organism: Xanthobacter autotrophicus
Primary publication:
Refined X-ray structures of haloalkane dehalogenase at pH 6.2 and pH 8.2 and implications for the reaction mechanism.
Verschueren KH, Franken SM, Rozeboom HJ, Kalk KH, Dijkstra BW
J Mol Biol 232 856-72 (1993)
PMID: 8355275

Function and Biology Details

Reaction catalysed: 
1-haloalkane + H(2)O = a primary alcohol + halide
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-149750 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Haloalkane dehalogenase Chain: A
Molecule details ›
Chain: A
Length: 310 amino acids
Theoretical weight: 35.18 KDa
Source organism: Xanthobacter autotrophicus
Expression system: Not provided
UniProt:
  • Canonical: P22643 (Residues: 1-310; Coverage: 100%)
Gene name: dhlA
Sequence domains: alpha/beta hydrolase fold
Structure domains: alpha/beta hydrolase

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
Spacegroup: P21212
Unit cell:
a: 94.4Å b: 72.9Å c: 41.4Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.164 not available not available
Expression system: Not provided

Quick links

Citations

8 review citations

Mechanisms and free energies of enzymatic reactions.
Gao et al. (2006)
7 more

17 mentions without citation

Tools for integrated sequence-structure analysis with UCSF Chimera.
Meng et al. (2006)
16 more