4AYP

Structure of The GH47 processing alpha-1,2-mannosidase from Caulobacter strain K31 in complex with thiomannobioside

4AYP の概要

• エントリーDOI: 10.2210/pdb4ayp/pdb
• 関連するPDBエントリー: 4AYO 4AYQ 4AYR
• 関連するBIRD辞書のPRD_ID: PRD_900033
• 分子名称: MANNOSYL-OLIGOSACCHARIDE 1,2-ALPHA-MANNOSIDASE, alpha-D-mannopyranose-(1-2)-methyl 2-thio-alpha-D-mannopyranoside, CALCIUM ION, ... (5 entities in total)
• 機能のキーワード: hydrolase, glycoside hydrolase, gh47, cazy, enzyme-carbohydrate interaction, mannose, glycosidase inhibition, quantum mechanics
• 由来する生物種: CAULOBACTER SP.
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 51022.21

構造登録者

Thompson, A.J.,Dabin, J.,Iglesias-Fernandez, J.,Iglesias-Fernandez, A.,Dinev, Z.,Williams, S.J.,Siriwardena, A.,Moreland, C.,Hu, T.C.,Smith, D.K.,Gilbert, H.J.,Rovira, C.,Davies, G.J. (登録日: 2012-06-21, 公開日: 2013-01-30, 最終更新日: 2024-05-01)

主引用文献

Thompson, A.J.,Dabin, J.,Iglesias-Fernandez, J.,Ardevol, A.,Dinev, Z.,Williams, S.J.,Bande, O.,Siriwardena, A.,Moreland, C.,Hu, T.C.,Smith, D.K.,Gilbert, H.J.,Rovira, C.,Davies, G.J.
The Reaction Coordinate of a Bacterial Gh47 Alpha-Mannosidase: A Combined Quantum Mechanical and Structural Approach.
Angew.Chem.Int.Ed.Engl., 51:10997-, 2012

PubMed Abstract: Mannosides in the southern hemisphere: Conformational analysis of enzymatic mannoside hydrolysis informs strategies for enzyme inhibition and inspires solutions to mannoside synthesis. Atomic resolution structures along the reaction coordinate of an inverting α-mannosidase show how the enzyme distorts the substrate and transition state. QM/MM calculations reveal how the free energy landscape of isolated α-D-mannose is molded on enzyme to only allow one conformationally accessible reaction coordinate.

PubMed: 23012075
DOI: 10.1002/ANIE.201205338

実験手法

X-RAY DIFFRACTION (0.85 Å)