› 4uhb

X-ray diffraction
1.8Å resolution

Laboratory evolved variant R-C1 of potato epoxide hydrolase StEH1

Released:
DOI: 10.2210/pdb4uhb/pdb
PDB entry 4uhb coloured by chain, front view.
PDB entry 4uhb coloured by chain, side view.
PDB entry 4uhb coloured by chain, top view.
Source organism: Solanum tuberosum
Primary publication:
Laboratory-Evolved Enzymes Provide Snapshots of the Development of Enantioconvergence in Enzyme-Catalyzed Epoxide Hydrolysis.
Janfalk Carlsson Å, Bauer P, Dobritzsch D, Nilsson M, Kamerlin SC, Widersten M
Chembiochem 17 1693-7 (2016)
PMID: 27383542

Function and Biology Details

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-174947 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
AB hydrolase-1 domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 328 amino acids
Theoretical weight: 37.17 KDa
Source organism: Solanum tuberosum
Expression system: Escherichia coli
UniProt:
  • Canonical: Q41415 (Residues: 3-321; Coverage: 99%)
Sequence domains: alpha/beta hydrolase fold
Structure domains: alpha/beta hydrolase

Ligands and Environments

2 bound ligands:
Ligand GOL 9 x GOL
Ligand EDO 2 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE BM30A
Spacegroup: P212121
Unit cell:
a: 55.8Å b: 96.33Å c: 121.78Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.199 0.199 0.211
Expression system: Escherichia coli

Quick links

Citations

4 citation in other articles

Exploring Solanum tuberosum Epoxide Hydrolase Internal Architecture by Water Molecules Tracking.
Mitusińska et al. (2018)
3 more

2 mentions without citation

Epoxide hydrolysis as a model system for understanding flux through a branched reaction scheme.
Janfalk Carlsson et al. (2018)
1 more