Title: Structure-Guided Regulation in the Enantioselectivity of an Epoxide Hydrolase to Produce Enantiomeric Monosubstituted Epoxides and Vicinal Diols via Kinetic Resolution Hu D, Hu BC, Hou XD, Zhang D, Lei YQ, Rao YJ, Wu MC Ref: Org Lett, :, 2022 : PubMed
Structure-guided microtuning of an Aspergillus usamii epoxide hydrolase was executed. One mutant, A214C/A250I, displayed a 12.6-fold enhanced enantiomeric ratio (E = 202) toward rac-styrene oxide, achieving its nearly perfect kinetic resolution at 0.8 M in pure water or 1.6 M in n-hexanol/water. Several other beneficial mutants also displayed significantly improved E values, offering promising biocatalysts to access 19 structurally diverse chiral monosubstituted epoxides (97.1 - <= 99% ee(s)) and vicinal diols (56.2-98.0% ee(p)) with high yields.
        
Representative scheme of Epoxide_hydrolase structure and an image from PDBsum server
no Image
Databases
PDB-Sum
6IX2 Previously Class, Architecture, Topology and Homologous superfamily - PDB-Sum server
FSSP
6IX2Fold classification based on Structure-Structure alignment of Proteins - FSSP server