› 3a2l

X-ray diffraction
1.78Å resolution

Crystal structure of DBJA (mutant dbja delta)

Released:
DOI: 10.2210/pdb3a2l/pdb
PDB entry 3a2l coloured by chain, front view.
PDB entry 3a2l coloured by chain, side view.
PDB entry 3a2l coloured by chain, top view.
Source organism: Bradyrhizobium japonicum
Primary publication:
Enantioselectivity of haloalkane dehalogenases and its modulation by surface loop engineering.
Prokop Z, Sato Y, Brezovsky J, Mozga T, Chaloupkova R, Koudelakova T, Jerabek P, Stepankova V, Natsume R, van Leeuwen JG, Janssen DB, Florian J, Nagata Y, Senda T, Damborsky J
Angew Chem Int Ed Engl 49 6111-5 (2010)
PMID: 20645368

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:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-157796 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Haloalkane dehalogenase Chains: A, B
Molecule details ›
Chains: A, B
Length: 309 amino acids
Theoretical weight: 34.16 KDa
Source organism: Bradyrhizobium japonicum
Expression system: Escherichia coli
UniProt:
  • Canonical: P59337 (Residues: 1-310; Coverage: 98%)
Gene names: blr1087, dhaA
Sequence domains: alpha/beta hydrolase fold
Structure domains: alpha/beta hydrolase

Ligands and Environments

Carbohydrate polymer : NEW Components: GLC, FRU
Carbohydrate polymer
2 bound ligands:
Ligand CL 2 x CL
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PHOTON FACTORY BEAMLINE AR-NW12A
Spacegroup: C2
Unit cell:
a: 125.547Å b: 48.652Å c: 106.816Å
α: 90° β: 97.39° γ: 90°
R-values:
R R work R free
0.171 0.169 0.205
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Haloalkane dehalogenases: biotechnological applications.
Koudelakova et al. (2013)
3 more