7XR9

Crystal structure of DgpA with glucose

7XR9 の概要

• エントリーDOI: 10.2210/pdb7xr9/pdb
• 分子名称: DgpA, beta-D-glucopyranose, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... (4 entities in total)
• 機能のキーワード: c-glycoside cleavage, c-glycoside isomeriase, oxidoreductase
• 由来する生物種: human intestinal bacterium PUE
• タンパク質・核酸の鎖数: 6
• 化学式量合計: 245692.55

構造登録者

Ma, W.,He, P. (登録日: 2022-05-09, 公開日: 2023-04-05, 最終更新日: 2024-05-29)

主引用文献

He, P.,Wang, S.,Li, S.,Liu, S.,Zhou, S.,Wang, J.,Tao, J.,Wang, D.,Wang, R.,Ma, W.
Structural mechanism of a dual-functional enzyme DgpA/B/C as both a C -glycoside cleaving enzyme and an O - to C -glycoside isomerase.
Acta Pharm Sin B, 13:246-255, 2023

PubMed Abstract: The -glycosidic bond that connects the sugar moiety with aglycone is difficult to be broken or made due to its inert nature. The knowledge of -glycoside breakdown and synthesis is very limited. Recently, the enzyme DgpA/B/C cascade from a human intestinal bacterium PUE was identified to specifically cleave the -glycosidic bond of puerarin (daidzein-8--glucoside). Here we investigated how puerarin is recognized and oxidized by DgpA based on crystal structures of DgpA with or without substrate and biochemical characterization. More strikingly, we found that apart from being a -glycoside cleaving enzyme, DgpA/B/C is capable of efficiently converting - to -glycoside showing the activity as a structure isomerase. A possible mechanistic model was proposed dependently of the simulated complex structure of DgpB/C with 3″-oxo-daidzin and structure-based mutagenesis. Our findings not only shed light on understanding the enzyme-mediated -glycosidic bond breakage and formation, but also may help to facilitate stereospecific -glycoside synthesis in pharmaceutical industry.

PubMed: 36815035
DOI: 10.1016/j.apsb.2022.05.022

実験手法

X-RAY DIFFRACTION (2.42 Å)