› 3wib

X-ray diffraction
1.95Å resolution

Crystal structure of Y109W Mutant Haloalkane Dehalogenase DatA from Agrobacterium tumefaciens C58

Released:
DOI: 10.2210/pdb3wib/pdb
PDB entry 3wib coloured by chain, front view.
PDB entry 3wib coloured by chain, side view.
PDB entry 3wib coloured by chain, top view.
Source organism: Agrobacterium fabrum str. C58
Primary publication:
Crystal structure of the novel haloalkane dehalogenase DatA from Agrobacterium tumefaciens C58 reveals a special halide-stabilizing pair and enantioselectivity mechanism.
Guan L, Yabuki H, Okai M, Ohtsuka J, Tanokura M
Appl Microbiol Biotechnol 98 8573-82 (2014)
PMID: 24770384

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-186506 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Haloalkane dehalogenase Chains: A, B
Molecule details ›
Chains: A, B
Length: 304 amino acids
Theoretical weight: 34.45 KDa
Source organism: Agrobacterium fabrum str. C58
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8U671 (Residues: 1-304; Coverage: 100%)
Gene names: AGR_pTi_130, Atu6064, dha, dhaA
Sequence domains: alpha/beta hydrolase fold
Structure domains: alpha/beta hydrolase

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: PHOTON FACTORY BEAMLINE AR-NW12A
Spacegroup: P422
Unit cell:
a: 123.62Å b: 123.62Å c: 88.08Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.196 0.194 0.235
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Dehalogenases: From Improved Performance to Potential Microbial Dehalogenation Applications.
Ang et al. (2018)
3 more