› 5flk

X-ray diffraction
0.99Å resolution

Structure of haloalkane dehalogenase variant DhaA101

Released:
DOI: 10.2210/pdb5flk/pdb
PDB entry 5flk coloured by chain, front view.
PDB entry 5flk coloured by chain, side view.
PDB entry 5flk coloured by chain, top view.
Source organism: Rhodococcus rhodochrous
Entry authors: Chaloupkova R, Waterman J, Damborsky J

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: 300 amino acids
Theoretical weight: 34.23 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 MES 1 x MES
Ligand PEG 2 x PEG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P1
Unit cell:
a: 42.66Å b: 44.4Å c: 46.26Å
α: 115.26° β: 97.59° γ: 109.52°
R-values:
R R work R free
0.115 0.114 0.13
Expression system: Escherichia coli BL21(DE3)

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