› 4wcv

X-ray diffraction
1.69Å resolution

Haloalkane dehalogenase DhaA mutant from Rhodococcus rhodochrous (T148L+G171Q+A172V+C176G)

Released:
DOI: 10.2210/pdb4wcv/pdb
PDB entry 4wcv coloured by chain, front view.
PDB entry 4wcv coloured by chain, side view.
PDB entry 4wcv coloured by chain, top view.
Source organism: Rhodococcus rhodochrous
Primary publication:
Balancing the stability-activity trade-off by fine-tuning dehalogenase access tunnels
Liskova V, Bednar D, Prudnikova T, Rezacova P, Koudelakova T, Sebestova E, Kuta-Smatanova I, Brezovsky J, Chaloupkova R, Damborsky J
ChemCatChem (2015)

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: 34.18 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

3 bound ligands:
Ligand CL 1 x CL
Ligand PGE 1 x PGE
Ligand ACT 2 x ACT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: OTHER
Spacegroup: P1
Unit cell:
a: 42.585Å b: 44.477Å c: 46.508Å
α: 115.47° β: 98.79° γ: 109.12°
R-values:
R R work R free
0.123 0.12 0.176
Expression system: Escherichia coli BL21(DE3)

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