Mining versatile feruloyl esterases: phylogenetic classification, structural features, and deep learning model.

ABSTRACT: Feruloyl esterases (FEs, EC 3.1.1.73) play a crucial role in biological synthesis and metabolism. However, the identification of versatile FEs, capable of catalyzing a wide range of substrates, remains a challenge. In this study, we obtained 2085 FE sequences from the BRENDA database and initiated with an enzyme similarity network analysis, revealing three main clusters (1-3). Notably, both cluster 1 and cluster 3 included the characterized FEs, which exhibited significant differences in sequence length. Subsequent phylogenetic analysis of these clusters unveiled a correlation between phylogenetic classification and substrate promiscuity, and enzymes with broad substrate scope tended to locate within specific branches of the phylogenetic tree. Further, molecular dynamics simulations and dy

SUBMITTER: Guo L 

PROVIDER: S-EPMC11780051 | biostudies-literature | 2025 Jan

REPOSITORIES: biostudies-literature