1W9D

S. alba myrosinase in complex with S-ethyl phenylacetothiohydroximate- O-sulfate

1W9D の概要

• エントリーDOI: 10.2210/pdb1w9d/pdb
• 関連するPDBエントリー: 1MYR 1W9B
• 分子名称: GLYCOSIDASE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-xylopyranose-(1-2)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... (10 entities in total)
• 機能のキーワード: thioglucosidase, thioglycosidase, myrosinase, hydrolase, thio-glucoside, thiohydroximate, glusosinolate, glucotropaeolin
• 由来する生物種: SINAPIS ALBA (WHITE MUSTARD)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 62309.50

構造登録者

Bourderioux, A.,Lefoix, M.,Gueyrard, D.,Tatibouet, A.,Cottaz, S.,Arzt, S.,Burmeister, W.P.,Rollin, P. (登録日: 2004-10-08, 公開日: 2005-05-19, 最終更新日: 2024-10-23)

主引用文献

Bourderioux, A.,Lefoix, M.,Gueyrard, D.,Tatibouet, A.,Cottaz, S.,Arzt, S.,Burmeister, W.P.,Rollin, P.
The Glucosinolate-Myrosinase System. New Insights Into Enzyme-Substrate Interactions by Use of Simplified Inhibitors
Org.Biomol.Chem., 3:1872-, 2005

PubMed Abstract: Myrosinase, a thioglucoside glucohydrolase, is the only enzyme able to hydrolyse glucosinolates, a unique family of molecules bearing an anomeric O-sulfated thiohydroximate function. Non-hydrolysable myrosinase inhibitors have been devised and studied for their biological interaction. Diverse modifications of the O-sulfate moiety did not result in a significant inhibitory effect, whereas replacing the D-glucopyrano residue by its carba-analogue allowed inhibition to take place. X-Ray experiments carried out after soaking allowed for the first time inclusion of a non-hydrolysable inhibitor inside the enzymatic pocket. Structural tuning of the aglycon part in its pocket is being used as a guide for the development of simplified and more potent inhibitors.

PubMed: 15889170
DOI: 10.1039/B502990B

実験手法

X-RAY DIFFRACTION (1.6 Å)