Modulating stereoselectivity and catalytic efficiency of carbenoid reactions catalysed by self-sufficient P450s†
Abstract
Self-sufficient P450s are versatile biocatalysts. Among six self-sufficient P450 backbones, two variants from Tepidiphilus thermophilus exhibited a high TOF value of 1.5 min−1 (P450TT-C385S) and excellent diastereoselectivity of deE = 95.4% (P450TT-C385H). Molecular simulation was performed to reveal the different catalytic mechanisms among the self-sufficient P450 backbones. This work could provide useful information for exploring challenging unnatural reactions.