1w9d

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spinqualitylabelsall models 1w9d, resolution 1.6Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image

S. ALBA MYROSINASE IN COMPLEX WITH S-ETHYL PHENYLACETOTHIOHYDROXIMATE-O-SULFATE

Overview

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.

About this Structure

1W9D is a Single protein structure of sequence from Sinapis alba with , , , and as ligands. Active as Transferred entry: 3.2.1.147, with EC number 3.2.3.1 Known structural/functional Site: . Full crystallographic information is available from OCA.

Reference

The glucosinolate-myrosinase system. New insights into enzyme-substrate interactions by use of simplified inhibitors., Bourderioux A, Lefoix M, Gueyrard D, Tatibouet A, Cottaz S, Arzt S, Burmeister WP, Rollin P, Org Biomol Chem. 2005 May 21;3(10):1872-9. Epub 2005 Apr 14. PMID:15889170

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