› 1pwx

X-ray diffraction
1.8Å resolution

Crystal structure of the haloalcohol dehalogenase HheC complexed with bromide

Released:
DOI: 10.2210/pdb1pwx/pdb
PDB entry 1pwx coloured by chain, front view.
PDB entry 1pwx coloured by chain, side view.
PDB entry 1pwx coloured by chain, top view.
Source organism: Agrobacterium tumefaciens
Primary publication:
Structure and mechanism of a bacterial haloalcohol dehalogenase: a new variation of the short-chain dehydrogenase/reductase fold without an NAD(P)H binding site.
de Jong RM, Tiesinga JJ, Rozeboom HJ, Kalk KH, Tang L, Janssen DB, Dijkstra BW
EMBO J 22 4933-44 (2003)
PMID: 14517233

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-188042 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Halohydrin dehalogenase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 254 amino acids
Theoretical weight: 27.98 KDa
Source organism: Agrobacterium tumefaciens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q93D82 (Residues: 1-254; Coverage: 100%)
Gene name: hheC
Sequence domains: Enoyl-(Acyl carrier protein) reductase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments

1 bound ligand:
Ligand BR 8 x BR
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ELETTRA BEAMLINE 5.2R
Spacegroup: P43
Unit cell:
a: 103.213Å b: 103.213Å c: 117.413Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.226 0.226 0.313
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

14 review citations

Medium- and short-chain dehydrogenase/reductase gene and protein families : the SDR superfamily: functional and structural diversity within a family of metabolic and regulatory enzymes.
Kavanagh et al. (2008)
13 more

4 mentions without citation

Structure and mechanism of a bacterial haloalcohol dehalogenase: a new variation of the short-chain dehydrogenase/reductase fold without an NAD(P)H binding site.
de Jong et al. (2003)
3 more