4WSK

Crystal structure of a bacterial fucosidase with phenyl((1R,2R,3R,4R,5R,6R)-2,3,4-trihydroxy-5-methyl-7-azabicyclo[4.1.0]heptan-7-yl)methanone

4WSK の概要

• エントリーDOI: 10.2210/pdb4wsk/pdb
• 分子名称: Alpha-L-fucosidase, SULFATE ION, N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]benzamide, ... (5 entities in total)
• 機能のキーワード: fucosidase complex covalent inhibitor, hydrolase
• 由来する生物種: Bacteroides thetaiotaomicron
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 218165.34

構造登録者

Davies, G.J. (登録日: 2014-10-28, 公開日: 2014-11-12, 最終更新日: 2024-11-20)

主引用文献

Jiang, J.,Kallemeijn, W.W.,Wright, D.W.,van den Nieuwendijk, A.M.C.H.,Rohde, V.C.,Folch, E.C.,van den Elst, H.,Florea, B.I.,Scheij, S.,Donker-Koopman, W.E.,Verhoek, M.,Li, N.,Schurmann, M.,Mink, D.,Boot, R.G.,Codee, J.D.C.,van der Marel, G.A.,Davies, G.J.,Aerts, J.M.F.G.,Overkleeft, H.S.
In vitroandin vivocomparative and competitive activity-based protein profiling of GH29 alpha-l-fucosidases.
Chem Sci, 6:2782-false, 2015

PubMed Abstract: GH29 α-l-fucosidases catalyze the hydrolysis of α-l-fucosidic linkages. Deficiency in human lysosomal α-l-fucosidase (FUCA1) leads to the recessively inherited disorder, fucosidosis. Herein we describe the development of fucopyranose-configured cyclophellitol aziridines as activity-based probes (ABPs) for selective and labeling of GH29 α-l-fucosidases from bacteria, mice and man. Crystallographic analysis on bacterial α-l-fucosidase confirms that the ABPs act by covalent modification of the active site nucleophile. Competitive activity-based protein profiling identified l-fuconojirimycin as the single GH29 α-l-fucosidase inhibitor from eight configurational isomers.

PubMed: 29142681
DOI: 10.1039/c4sc03739a

実験手法

X-RAY DIFFRACTION (1.92 Å)