Structural Insights into the Substrate Recognition of Ginsenoside Glycosyltransferase Pq3‐O‐UGT2

Advanced Science, Год журнала: 2025, Номер unknown

Опубликована: Янв. 29, 2025

Abstract Ginsenosides are a group of tetracyclic triterpenoids with promising health benefits, consisting ginseng aglycone attached to various glycans. Pq3‐O‐UGT2, an important UDP‐dependent glycosyltransferase (UGT), catalyzes the production Ginsenoside Rg3 and Rd by extending glycan chain Rh2 F2, respectively, higher selectivity for F2. However, mechanism underlying its substrate recognition remains unclear. In this study, crystal structures Pq3‐O‐UGT2 in complex acceptor substrates solved. The revealed Nα5‐oriented binding pocket shaped unique conformation Nα5‐Nα6 linker. Hydrophobic interactions play pivotal role both while hydrogen bonds specifically aid F2 due additional glucose moiety. hydrophobic nature also enables recognize flavonoids. Overall, study provides novel insights into mechanisms ginsenoside UGTs, advancing understanding their function specificity.

Язык: Английский

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Conserved Local Structural Motifs in Glycoside Hydrolase Families Facilitate the Discovery of Functional Enzymes

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

Опубликована: Май 5, 2025

Glycoside hydrolases (GHs) are vital for natural glycoside biotransformation, especially in enhancing the pharmacological effects of products like ginsenosides. In this study, we collected 67 microbial-derived ginsenoside-hydrolyzing enzymes from nine GH families. Despite differences global structures, key residues surrounding substrate binding GH1 and GH3 exhibit conserved structural motifs. Leveraging these motifs, five genes Cellulosimicrobium were cloned, three (Cbgl496, Cbgl516, Cbgl766) characterized. Experimental results demonstrated that Cbgl766, Cbgl841 specifically catalyzed hydrolysis β(1-6) glycosidic bond C-20 sugar chain ginsenoside Rb1 to yield Rd. Cbgl496 selectively β(1-2) bonds oligosaccharide chains at C-3 position ginsenosides Rb1, Rb2, Rb3, Rc, thereby directionally producing minor Gy XVII, Compound O, Mx1, Mc1. Structural analysis 109,994 GH1/GH3 models AlphaFold database revealed across various organisms, emphasizing evolutionary conservation 3D structure catalytic core region despite sequence diversity. This study underscores importance local motifs GHs, offering insights functional enzyme screening understanding diversity industrial applications.

Язык: Английский

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Synergistic effects of cellulase hydrolysis and multiplex-frequency ultrasonic-assisted treatment on powder promotion derived from Panax ginseng C.A Mayer leaves: a sustainable biotransformation strategy

Journal of Food Measurement & Characterization, Год журнала: 2025, Номер unknown

Опубликована: Май 16, 2025

Язык: Английский

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Modification of the active centre of nattokinase to enhance its thermostability using a strategy based on molecular dynamics simulation, steered dynamics simulation, and conservative prediction

Frontiers in Nutrition, Год журнала: 2024, Номер 11

Опубликована: Ноя. 14, 2024

Introduction The poor thermostability of nattokinase represents a significant limitation in its potential applications. Additionally, there is notable absence studies focused on modifying residues within the active site region with aim enhancing catalytic properties. Furthermore, direct utilisation directed evolution often yields unfavourable outcomes, considerable workload being common consequence. Methods In order to solve above problems, new method based molecular dynamics simulation, steered simulation and conservative analysis site-directed mutagenesis was proposed screen mutants improved thermal stability. Molecular used explain mechanism performance improvement positive mutants. Finally, fermentation process mutant optimized. Results discussion Based these findings, A216K selected for 5.7-fold increase half-life at 55°C small activity, which further enhanced mutation library stability enhancement enzyme’s centre. results indicated that number hydrogen bonds protein between solvent, as well augmentation rigidity around calcium ion binding site, were primary factors contributing A216K. It anticipated this strategy will provide novel insights into enzyme engineering research.

Язык: Английский

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Strategic enrichment of ocotillol-type ginsenosides F11, RT5 and ocotillol from Panax quinquefolium

Industrial Crops and Products, Год журнала: 2024, Номер 218, С. 118953 - 118953

Опубликована: Июнь 14, 2024

Язык: Английский

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