2JIW

Bacteroides thetaiotaomicron GH84 O-GlcNAcase in complex with 2- Acetylamino-2-deoxy-1-epivalienamine

2JIW の概要

• エントリーDOI: 10.2210/pdb2jiw/pdb
• 関連するPDBエントリー: 2CHN 2CHO 2J47 2J4G
• 分子名称: O-GLCNACASE BT_4395, N-[(1S,2R,5R,6R)-2-AMINO-5,6-DIHYDROXY-4-(HYDROXYMETHYL)CYCLOHEX-3-EN-1-YL]ACETAMIDE (3 entities in total)
• 機能のキーワード: o-glcnacase, glycosidase, epivalienamine, gh84, enzyme, hydrolase, inhibitor, inhibition
• 由来する生物種: BACTEROIDES THETAIOTAOMICRON
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 165070.81

構造登録者

Dennis, R.J.,Davies, G.J. (登録日: 2007-07-02, 公開日: 2007-08-07, 最終更新日: 2024-05-08)

主引用文献

Scaffidi, A.,Stubbs, K.A.,Dennis, R.J.,Taylor, E.J.,Davies, G.J.,Vocadlo, D.J.,Stick, R.V.
A 1-Acetamido Derivative of 6-Epi-Valienamine: An Inhibitor of a Diverse Group of Beta-N-Acetylglucosaminidases.
Org.Biomol.Chem., 5:3013-, 2007

PubMed Abstract: The synthesis of an analogue of 6-epi-valienamine bearing an acetamido group and its characterisation as an inhibitor of beta-N-acetylglucosaminidases are described. The compound is a good inhibitor of both human O-GlcNAcase and human beta-hexosaminidase, as well as two bacterial beta-N-acetylglucosaminidases. A 3-D structure of the complex of Bacteroides thetaiotaomicron BtGH84 with the inhibitor shows the unsaturated ring is surprisingly distorted away from its favoured solution phase conformation and reveals potential for improved inhibitor potency.

PubMed: 17728868
DOI: 10.1039/B709681J

実験手法

X-RAY DIFFRACTION (1.95 Å)