Crystal structure of F128A mutant of an epoxide hydrolase from Bacillus megaterium complexed with its product (R)-3-[1]naphthyloxy-propane-1,2-diol

Engineering of an epoxide hydrolase for efficient bioresolution of bulky pharmaco substrates.

GSHMASMTGGQQMGRGSMSKQYINVNGVNLHYISKGQGELMLFLHGFPDFSHIWRHQIDEFSNDFHTVALDLRGYNLSEK
PSGLESYEIDVLVEDIRQVIEGLGYSSCTLVVHDWGAGIGWTFAYRYPEYVQKLIAFNGPHPYTAMRELRTNKNQQKASE
YMKWFQKQEVQDYMERDNFSGLRKLVIDPGVKKGYLTADDVQAYMNSWENGSVLSMLSYYRNLKIFTEEDLRRKSLFPLE
EEVLNIPVQIIWGNQDPTFMPENLDGIEEYVPNISVHRLAEASHAPQHEKPQEVNNVMWNFLNK

0.1 M Tris, 2.0 M (NH4)2SO4, 0.2 M Li2SO4, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K

structure of the wild type enzyme complexed with a substrate analogue

a/b hydrolase fold, epoxide hydrolase, hydrolase

MSKQYINVNGVNLHYISKGQGELMLFLHGFPDFSHIWRHQIDEFSNDFHTVALDLRGYNLSEKPSGLESYEIDVLVEDIR
QVIEGLGYSSCTLVVHDWGAGIGWTFAYRYPEYVQKLIAFNGPHPYTFMRELRTNKNQQKASEYMKWFQKQEVQDYMERD
NFSGLRKLVIDPGVKKGYLTADDVQAYMNSWENGSVLSMLSYYRNLKIFTEEDLRRKSLFPLEEEVLNIPVQIIWGNQDP
TFMPENLDGIEEYVPNISVHRLAEASHAPQHEKPQEVNNVMWNFLNK