› 2bfn

X-ray diffraction
1.6Å resolution

The crystal structure of the complex of the haloalkane dehalogenase LinB with the product of dehalogenation reaction 1,2-dichloropropane.

Released:
DOI: 10.2210/pdb2bfn/pdb
PDB entry 2bfn coloured by chain, front view.
PDB entry 2bfn coloured by chain, side view.
PDB entry 2bfn coloured by chain, top view.
Source organism: Sphingomonas paucimobilis
Primary publication:
Weak activity of haloalkane dehalogenase LinB with 1,2,3-trichloropropane revealed by X-Ray crystallography and microcalorimetry.
Monincová M, Prokop Z, Vévodová J, Nagata Y, Damborsky J
Appl Environ Microbiol 73 2005-8 (2007)
PMID: 17259360

Function and Biology Details

Reaction catalysed: 
1-haloalkane + H(2)O = a primary alcohol + halide
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-112655 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Haloalkane dehalogenase Chain: A
Molecule details ›
Chain: A
Length: 296 amino acids
Theoretical weight: 33.14 KDa
Source organism: Sphingomonas paucimobilis
UniProt:
  • Canonical: D4Z2G1 (Residues: 1-296; Coverage: 100%)
Gene names: SJA_C1-19590, linB
Sequence domains: alpha/beta hydrolase fold
Structure domains: alpha/beta hydrolase

Ligands and Environments

3 bound ligands:
Ligand D2P 1 x D2P
Ligand CL 1 x CL
Ligand CA 3 x CA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-2
Spacegroup: P212121
Unit cell:
a: 50.571Å b: 72.142Å c: 73.311Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.15 0.149 0.171

Quick links

Citations

4 review citations

Aerobic degradation of lindane (gamma-hexachlorocyclohexane) in bacteria and its biochemical and molecular basis.
Nagata et al. (2007)
3 more

5 mentions without citation

How mutational epistasis impairs predictability in protein evolution and design.
Miton et al. (2016)
4 more