› 3fwh

X-ray diffraction
1.22Å resolution

Structure of haloalkane dehalogenase mutant Dha15 (I135F/C176Y) from Rhodococcus rhodochrous

Released:
DOI: 10.2210/pdb3fwh/pdb
PDB entry 3fwh coloured by chain, front view.
PDB entry 3fwh coloured by chain, side view.
PDB entry 3fwh coloured by chain, top view.
Source organism: Rhodococcus sp.
Primary publication:
Atomic resolution studies of haloalkane dehalogenases DhaA04, DhaA14 and DhaA15 with engineered access tunnels.
Stsiapanava A, Dohnalek J, Gavira JA, Kuty M, Koudelakova T, Damborsky J, Kuta Smatanova I
Acta Crystallogr D Biol Crystallogr 66 962-9 (2010)
PMID: 20823547

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-141210 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Haloalkane dehalogenase Chain: A
Molecule details ›
Chain: A
Length: 299 amino acids
Theoretical weight: 34.2 KDa
Source organism: Rhodococcus sp.
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P0A3G3 (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 ACT 1 x ACT
Ligand CL 2 x CL
Ligand IPA 1 x IPA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE X11
Spacegroup: P1
Unit cell:
a: 42.524Å b: 44.37Å c: 46.541Å
α: 115.48° β: 98.41° γ: 109.6°
R-values:
R R work R free
0.132 0.13 0.162
Expression system: Escherichia coli BL21

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Citations

5 citation in other articles

Directed evolution strategies for enantiocomplementary haloalkane dehalogenases: from chemical waste to enantiopure building blocks.
van Leeuwen et al. (2012)
4 more