› 6s42

X-ray diffraction
1.4Å resolution

The double mutant(Ile44Leu+Gln102His) of haloalkane dehalogenase DbeA from Bradyrhizobium elkanii USDA94 with an eliminated halide-binding site

Released:
DOI: 10.2210/pdb6s42/pdb
PDB entry 6s42 coloured by chain, front view.
PDB entry 6s42 coloured by chain, side view.
PDB entry 6s42 coloured by chain, top view.
Source organism: Bradyrhizobium elkanii
Primary publication:
Crystallization and Crystallographic Analysis of a Bradyrhizobium Elkanii USDA94 Haloalkane Dehalogenase Variant with an Eliminated Halide-Binding Site
Prudnikova T, Kuta Smatanova I
Crystals (2019)

Function and Biology Details

Reaction catalysed: 
1-haloalkane + H(2)O = a primary alcohol + halide
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-122862 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Haloalkane dehalogenase Chain: A
Molecule details ›
Chain: A
Length: 310 amino acids
Theoretical weight: 33.99 KDa
Source organism: Bradyrhizobium elkanii
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: E2RV62 (Residues: 1-302; Coverage: 97%)
Gene names: dbeA, dhaA
Sequence domains: alpha/beta hydrolase fold

Ligands and Environments

3 bound ligands:
Ligand HEZ 1 x HEZ
Ligand IOD 8 x IOD
Ligand CL 3 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: C2
Unit cell:
a: 128.945Å b: 63.95Å c: 46.053Å
α: 90° β: 106.27° γ: 90°
R-values:
R R work R free
0.14 0.14 0.152
Expression system: Escherichia coli BL21(DE3)

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