› 4f60

X-ray diffraction
1.45Å resolution

Crystal structure of Rhodococcus rhodochrous haloalkane dehalogenase mutant (T148L, G171Q, A172V, C176F).

Released:
DOI: 10.2210/pdb4f60/pdb
PDB entry 4f60 coloured by chain, front view.
PDB entry 4f60 coloured by chain, side view.
PDB entry 4f60 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: 34.27 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

1 bound ligand:
Ligand F 1 x F
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.2
Spacegroup: P212121
Unit cell:
a: 52.018Å b: 69.93Å c: 85.352Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.151 0.15 0.171
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

10 review citations

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

1 mention without citation

The cytochrome P450 genes of channel catfish: their involvement in disease defense responses as revealed by meta-analysis of RNA-Seq data sets.
Zhang et al. (2014)