› 5yb5

X-ray diffraction
1.9Å resolution

The complex crystal structure of VrEH2 mutant M263N with SNO

Released:
DOI: 10.2210/pdb5yb5/pdb
PDB entry 5yb5 coloured by chain, front view.
PDB entry 5yb5 coloured by chain, side view.
PDB entry 5yb5 coloured by chain, top view.
Source organism: Vigna radiata
Primary publication:
Regioselectivity Engineering of Epoxide Hydrolase: Near-Perfect Enantioconvergence through a Single Site Mutation
Li FL, Kong XD, Chen Q, Zheng YC, Xu Q, Chen FF, Fan LQ, Lin GQ, Zhou JH, Yu HL, Xu JH
ACS Catalysis 8 8314-8317 (2018)

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-102655 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
AB hydrolase-1 domain-containing protein Chain: B
Molecule details ›
Chain: B
Length: 326 amino acids
Theoretical weight: 37.32 KDa
Source organism: Vigna radiata
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A0A0R5NGA4 (Residues: 1-318; Coverage: 100%)
Gene name: EH2
Sequence domains: alpha/beta hydrolase fold
Structure domains: alpha/beta hydrolase

Ligands and Environments

1 bound ligand:
Ligand SNO 1 x SNO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL19U1
Spacegroup: P43212
Unit cell:
a: 70.297Å b: 70.297Å c: 121.295Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.196 0.193 0.252
Expression system: Escherichia coli BL21(DE3)

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