2021 journal article

Computationally-guided exchange of substrate selectivity motifs in a modular polyketide synthase acyltransferase

Nature Communications.

MeSH headings : Acyltransferases / chemistry; Acyltransferases / genetics; Acyltransferases / metabolism; Catalytic Domain; Malonyl Coenzyme A; Molecular Dynamics Simulation; Mutagenesis; Polyketide Synthases / chemistry; Polyketide Synthases / genetics; Polyketide Synthases / metabolism; Polyketides; Protein Engineering; Secondary Metabolism; Substrate Specificity
TL;DR: Molecular dynamics simulations are used to pinpoint mutations that impact AT domain selectivity and exchange structural motifs to obtain chimeric PKS modules with expanded substrate specificity, leading to identification of two previously unexplored structural motifS. (via Semantic Scholar)
Source: ORCID
Added: April 14, 2021