› 4f5z

X-ray diffraction
1.2Å resolution

Crystal structure of Rhodococcus rhodochrous haloalkane dehalogenase mutant (L95V, A172V).

Released:
DOI: 10.2210/pdb4f5z/pdb
PDB entry 4f5z coloured by chain, front view.
PDB entry 4f5z coloured by chain, side view.
PDB entry 4f5z coloured by chain, top view.
Source organism: Rhodococcus rhodochrous
Primary publication:
Engineering enzyme stability and resistance to an organic cosolvent by modification of residues in the access tunnel.
Koudelakova T, Chaloupkova R, Brezovsky J, Prokop Z, Sebestova E, Hesseler M, Khabiri M, Plevaka M, Kulik D, Kuta Smatanova I, Rezacova P, Ettrich R, Bornscheuer UT, Damborsky J
Angew Chem Int Ed Engl 52 1959-63 (2013)
PMID: 23303607

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 analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-141208 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Haloalkane dehalogenase Chain: A
Molecule details ›
Chain: A
Length: 299 amino acids
Theoretical weight: 34.12 KDa
Source organism: Rhodococcus rhodochrous
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P0A3G2 (Residues: 1-293; Coverage: 100%)
Gene name: dhaA
Sequence domains: alpha/beta hydrolase fold
Structure domains: alpha/beta hydrolase

Ligands and Environments

2 bound ligands:
Ligand CL 1 x CL
Ligand BEZ 1 x BEZ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.2
Spacegroup: P1
Unit cell:
a: 42.663Å b: 44.489Å c: 46.389Å
α: 115.28° β: 98.61° γ: 109.55°
R-values:
R R work R free
0.122 0.12 0.155
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

10 review citations

Stabilizing biocatalysts.
Bommarius et al. (2013)
9 more