› 2dhd

X-ray diffraction
2.13Å resolution

CRYSTALLOGRAPHIC ANALYSIS OF THE CATALYTIC MECHANISM OF HALOALKANE DEHALOGENASE

Released:
DOI: 10.2210/pdb2dhd/pdb
PDB entry 2dhd coloured by chain, front view.
PDB entry 2dhd coloured by chain, side view.
PDB entry 2dhd coloured by chain, top view.
Source organism: Xanthobacter autotrophicus
Primary publication:
Crystallographic analysis of the catalytic mechanism of haloalkane dehalogenase.
Verschueren KH, Seljée F, Rozeboom HJ, Kalk KH, Dijkstra BW
Nature 363 693-8 (1993)
PMID: 8515812

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)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Haloalkane dehalogenase Chain: A
Molecule details ›
Chain: A
Length: 310 amino acids
Theoretical weight: 35.24 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

1 bound ligand:
Ligand CL 1 x CL
1 modified residue:
Ligand 0AK 1 x 0AK

Experiments and Validation Details

Entry percentile scores
Spacegroup: P21212
Unit cell:
a: 94.8Å b: 72.8Å c: 41.4Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.189 not available not available
Expression system: Not provided

Quick links

Citations

36 review citations

Bacterial biocatalysts: molecular biology, three-dimensional structures, and biotechnological applications of lipases.
Jaeger et al. (1999)
35 more

3 mentions without citation

CAVER: a new tool to explore routes from protein clefts, pockets and cavities.
Petrek et al. (2006)
2 more