› 1cij

X-ray diffraction
2.3Å resolution

HALOALKANE DEHALOGENASE SOAKED WITH HIGH CONCENTRATION OF BROMIDE

Released:
DOI: 10.2210/pdb1cij/pdb
PDB entry 1cij coloured by chain, front view.
PDB entry 1cij coloured by chain, side view.
PDB entry 1cij coloured by chain, top view.
Source organism: Xanthobacter autotrophicus
Primary publication:
Crystallographic and kinetic evidence of a collision complex formed during halide import in haloalkane dehalogenase.
Pikkemaat MG, Ridder IS, Rozeboom HJ, Kalk KH, Dijkstra BW, Janssen DB
Biochemistry 38 12052-61 (1999)
PMID: 10508409

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: 35.16 KDa
Source organism: Xanthobacter autotrophicus
Expression system: Escherichia coli
UniProt:
  • Canonical: P22643 (Residues: 1-1, 3-310; Coverage: 100%)
Gene name: dhlA
Sequence domains: alpha/beta hydrolase fold
Structure domains: alpha/beta hydrolase

Ligands and Environments

1 bound ligand:
Ligand BR 3 x BR
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ENRAF-NONIUS FR591
Spacegroup: P21212
Unit cell:
a: 93.407Å b: 71.964Å c: 40.968Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.226 0.226 0.272
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Evolving haloalkane dehalogenases.
Janssen DB. (2004)
8 other articles

1 mention without citation

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