› 3bjx

X-ray diffraction
2.3Å resolution

Structure of a Group I haloacid dehalogenase from Pseudomonas putida strain PP3

Released:
DOI: 10.2210/pdb3bjx/pdb
PDB entry 3bjx coloured by chain, front view.
PDB entry 3bjx coloured by chain, side view.
PDB entry 3bjx coloured by chain, top view.
Source organism: Pseudomonas putida
Primary publication:
The crystal structure of DehI reveals a new alpha-haloacid dehalogenase fold and active-site mechanism.
Schmidberger JW, Wilce JA, Weightman AJ, Whisstock JC, Wilce MC
J. Mol. Biol. 378 284-94 (2008)
PMID: 18353360

Function and Biology Details

Reaction catalysed: 
(S)-2-haloacid + H(2)O = (R)-2-hydroxyacid + halide
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-184527 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Halocarboxylic acid dehalogenase DehI Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 311 amino acids
Theoretical weight: 34.87 KDa
Source organism: Pseudomonas putida
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8GJ84 (Residues: 1-296; Coverage: 100%)
Gene name: dehI
Sequence domains: Halocarboxylic acid dehydrogenase DehI

Ligands and Environments

1 bound ligand:
Ligand SO4 16 x SO4
1 modified residue:
Ligand MSE 32 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU, SSRL BEAMLINE BL9-1
Spacegroup: P21
Unit cell:
a: 68.323Å b: 111.864Å c: 75.181Å
α: 90° β: 93.71° γ: 90°
R-values:
R R work R free
0.185 0.181 0.25
Expression system: Escherichia coli

Quick links

Citations

6 review citations

Structures and folding pathways of topologically knotted proteins.
Virnau et al. (2011)
5 more

11 mentions without citation

Knotted proteins: A tangled tale of Structural Biology.
Faísca PF. (2015)
10 more