› 4c6h

X-ray diffraction
1.61Å resolution

Haloalkane dehalogenase with 1-hexanol

Released:
DOI: 10.2210/pdb4c6h/pdb
PDB entry 4c6h coloured by chain, front view.
PDB entry 4c6h coloured by chain, side view.
PDB entry 4c6h coloured by chain, top view.
Source organism: Rhodobacteraceae
Primary publication:
Biochemical and structural characterisation of a haloalkane dehalogenase from a marine Rhodobacteraceae.
Novak HR, Sayer C, Isupov MN, Gotz D, Spragg AM, Littlechild JA
FEBS Lett 588 1616-22 (2014)
PMID: 24613925

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-100365 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
AB hydrolase-1 domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 291 amino acids
Theoretical weight: 32.66 KDa
Source organism: Rhodobacteraceae
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A0A067XG66 (Residues: 1-291; Coverage: 100%)
Sequence domains: alpha/beta hydrolase fold
Structure domains: alpha/beta hydrolase

Ligands and Environments

3 bound ligands:
Ligand CL 1 x CL
Ligand PGE 1 x PGE
Ligand HE2 1 x HE2
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P21212
Unit cell:
a: 64.45Å b: 71.41Å c: 59.75Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.155 0.153 0.187
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

Halophiles: biology, adaptation, and their role in decontamination of hypersaline environments.
Edbeib et al. (2016)
2 more

2 mentions without citation

Enzymatic Halogenation and Dehalogenation Reactions: Pervasive and Mechanistically Diverse.
Agarwal et al. (2017)
1 more