Enzyme modification using mutation site prediction method for enhancing the regioselectivity of substrate reaction sites.

ABSTRACT: Enzymes with low regioselectivity of substrate reaction sites may produce multiple products from a single substrate. When a target product is produced industrially using these enzymes, the production of non-target products (byproducts) causes adverse effects such as increased processing costs for purification and the amount of raw material. Thus it is required the development of modified enzymes to reduce the amount of byproducts' production. In this paper, we report a method called mutation site prediction for enhancing the regioselectivity of substrate reaction sites (MSPER). MSPER takes conformational data for docking poses of an enzyme and a substrate as input and automatically generates a ranked list of mutation sites to destabilize docking poses for byproducts while maintaining those

SUBMITTER: Ikebe J 

PROVIDER: S-EPMC8488038 | biostudies-literature | 2021 Oct

REPOSITORIES: biostudies-literature