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

Bioresources and Bioprocessing, Год журнала: 2025, Номер 12(1)

Опубликована: Янв. 29, 2025

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 catalyzing wide range substrates, remains challenge. In this study, we obtained 2085 FE sequences from BRENDA database initiated with an enzyme similarity network analysis, revealing three main clusters (1–3). Notably, both cluster 1 3 included characterized which exhibited significant differences sequence length. Subsequent phylogenetic analysis these unveiled correlation between classification substrate promiscuity, enzymes broad scope tended to locate within specific branches tree. Further, molecular dynamics simulations dynamical cross-correlation matrix were employed explore structural promiscuous substrate-specific FEs. Finally, expand repertoire deep learning models predict potentially identified 38 75 potential FEs probability score exceeding 90%. Our findings underscore utility integrating features approaches for mining shedding light on unexplored enzymatic diversity expanding biocatalysts synthetic applications. Graphical

Язык: Английский

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Characterization and Engineering of Multifunctional Glycosyltransferase HtUGT73EW3 for the Highly Efficient Synthesis of Flavonoid Mono/di-O-glycosides

Journal of Agricultural and Food Chemistry, Год журнала: 2025, Номер unknown

Опубликована: Апрель 7, 2025

Glycosylation modification is an effective way to improve the solubility, stability, and bioavailability of flavonoids. In this study, a multifunctional flavonoid glycosyltransferase HtUGT73EW3 was identified from Helleborus thibetanus. exhibited multisite selectivity for 3-, 6-, 7-, 2'-, 3'-, 4'-OH flavonoids showed potent 3/3'-, 3/4'-, 7/4'-di-O-glycosylation activity. able glycosylate structurally diverse aglycones monoglycosides, efficient glycosylation capacity toward structures modified with functional groups at C-3, C-7, C-8, C-4' positions. Notably, mutation Gln85 Leu greatly enhanced its catalytic activity, enabling not only conversion steroids terpenoids, but also improved utilization UDP-sugars. Furthermore, Q85L I94A variants were found catalyze specific 7,4'- 3,4'-di-O-glycosylation, respectively. A cost-effective one-pot synthetic reaction established by coupling AtSuSy HtUGT73EW3, gram-scale synthesis 4'-O-glucoside 3,4'-/7,4'-di-O-glucoside achieved fed-batch strategy.

Язык: Английский

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Cloning, Expression, and Functional Characterization of three f 6-hydroxyalizarin Glycosyltransferases from Rheum palmatum

Plant Physiology and Biochemistry, Год журнала: 2025, Номер unknown, С. 109987 - 109987

Опубликована: Май 1, 2025

Язык: Английский

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Tailoring of levansucrase product size by a comparative molecular dynamics approach

Enzyme and Microbial Technology, Год журнала: 2024, Номер 184, С. 110577 - 110577

Опубликована: Дек. 23, 2024

Язык: Английский

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