› 5kvc

X-ray diffraction
1.5Å resolution

Thermostable mutant of halohydrin dehalogenase (HheC)

Released:
DOI: 10.2210/pdb5kvc/pdb
PDB entry 5kvc coloured by chain, front view.
PDB entry 5kvc coloured by chain, side view.
PDB entry 5kvc coloured by chain, top view.
Source organism: Agrobacterium tumefaciens
Primary publication:
A robust cosolvent-compatible halohydrin dehalogenase by computational library design.
Arabnejad H, Dal Lago M, Jekel PA, Floor RJ, Thunnissen AWH, Terwisscha van Scheltinga AC, Wijma HJ, Janssen DB
Protein Eng Des Sel 30 173-187 (2017)
PMID: 27999093

Function and Biology Details

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

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
Molecule details ›
Chains: A, B
Length: 254 amino acids
Theoretical weight: 28.22 KDa
Source organism: Agrobacterium tumefaciens
Expression system: Escherichia coli MC1061
UniProt:
  • Canonical: Q93D82 (Residues: 3-254; Coverage: 99%)
Gene name: hheC
Sequence domains: Enoyl-(Acyl carrier protein) reductase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments

4 bound ligands:
Ligand CL 5 x CL
Ligand IMD 2 x IMD
Ligand NA 2 x NA
Ligand EDO 6 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: P3121
Unit cell:
a: 81.839Å b: 81.839Å c: 155.609Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.172 0.171 0.196
Expression system: Escherichia coli MC1061

Quick links

Citations

8 citation in other articles

Approaching boiling point stability of an alcohol dehydrogenase through computationally-guided enzyme engineering.
Aalbers et al. (2020)
7 more