› 1pwz

X-ray diffraction
2.5Å resolution

Crystal structure of the haloalcohol dehalogenase HheC complexed with (R)-styrene oxide and chloride

Released:
DOI: 10.2210/pdb1pwz/pdb
PDB 1pwz coloured by chain and viewed from the front.
PDB 1pwz coloured by chain and viewed from the side.
PDB 1pwz coloured by chain and viewed from the top.
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:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Halohydrin dehalogenase Chains: A, B
Molecule details ›
Chains: A, B
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

2 bound ligands:
Ligand CL 2 x CL
Ligand RSO 2 x RSO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-2
Spacegroup: P43212
Unit cell:
a: 103.904Å b: 103.904Å c: 119.422Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.224 0.224 0.271
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

13 review citations

Dehalogenases: From Improved Performance to Potential Microbial Dehalogenation Applications.
Ang et al. (2018)
12 more

4 mentions without citation

Enzymatic Halogenation and Dehalogenation Reactions: Pervasive and Mechanistically Diverse.
Agarwal et al. (2017)
3 more