9KYP

GH57 family amylopullulanase from Aquifex aeolicus wild type complex with beta-cyclodextrin

9KYP の概要

• エントリーDOI: 10.2210/pdb9kyp/pdb
• 関連するBIRD辞書のPRD_ID: PRD_900012
• 分子名称: Glycoside hydrolase family 57 N-terminal domain-containing protein, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), GLYCEROL, ... (7 entities in total)
• 機能のキーワード: gh57 family, amylopullulanase, aquifex aeolicus, hydrolase
• 由来する生物種: Aquifex aeolicus VF5; 詳細
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 238544.47

構造登録者

Zhu, Z.M.,Wang, W.W.,Yu, F.,Li, M.J.,Xu, Q.,Zhou, H.,Huang, L.Q.,Wang, Q.S. (登録日: 2024-12-09, 公開日: 2025-06-04)

主引用文献

Zhu, Z.,Li, M.,Xu, Q.,Huang, L.,Zhou, H.,Wang, W.,Wang, Q.,Yu, F.
Mechanistic insights into cyclodextrins as substrates and inhibitors of GH57 family amylopullulanase from Aquifex aeolicus.
J.Struct.Biol., 217:108199-108199, 2025

PubMed Abstract: Maltooligosaccharides (MOs) have gained significant attention in the food and pharmaceutical industries owing to their valuable functional properties, including controlled sweetness, digestibility, and enhanced bioavailability. However, conventional MOs is production involves complex processing steps and significant production costs. A potential high-efficiency synthesis of specific MOs can be achieved through the ring-opening reaction of cyclodextrins (CDs) catalyzed by amylolytic enzymes. In this study, we analyze the catalytic conversion of α-, β-, and γ-CDs by a GH57 family amylopullulanase from Aquifex aeolicus (AaApu) using thin-layer chromatography (TLC). Our findings demonstrate that AaApu has a substrate specificity for γ-CD, while all three CDs exert competitive inhibition on pullulan hydrolysis. To elucidate the molecular mechanism of CDs as inhibitor and substrate of amylopullulanase, we determined high-resolution crystal structures of AaApu (wild-type and D352N) in complex with α-, β-, and γ-CD through co-crystallization. These findings establish a structure-function framework for understanding the bifunctional nature of CDs as both substrates and inhibitors in GH57 amylopullulanases.

PubMed: 40120836
DOI: 10.1016/j.jsb.2025.108199

実験手法

X-RAY DIFFRACTION (1.79 Å)