Computational-guided discovery and characterization of a sesquiterpene synthase from Streptomyces clavuligerus.

ABSTRACT: Terpenoids are a large structurally diverse group of natural products with an array of functions in their hosts. The large amount of genomic information from recent sequencing efforts provides opportunities and challenges for the functional assignment of terpene synthases that construct the carbon skeletons of these compounds. Inferring function from the sequence and/or structure of these enzymes is not trivial because of the large number of possible reaction channels and products. We tackle this problem by developing an algorithm to enumerate possible carbocations derived from the farnesyl cation, the first reactive intermediate of the substrate, and evaluating their steric and electrostatic compatibility with the active site. The homology model of a putative pentalenene synthase (Uniprot

SUBMITTER: Chow JY 

PROVIDER: S-EPMC4426440 | biostudies-literature | 2015 May

REPOSITORIES: biostudies-literature