2WXD

A MICROMOLAR O-SULFATED THIOHYDROXIMATE INHIBITOR BOUND TO PLANT MYROSINASE

Summary for 2WXD

• Entry DOI: 10.2210/pdb2wxd/pdb
• Related: 1DWA 1DWF 1DWG 1DWH 1DWI 1DWJ 1E4M 1E6Q 1E6S 1E6X 1E70 1E71 1E72 1E73 1MYR 1W9B 1W9D
• Descriptor: MYROSINASE, 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)
• Functional Keywords: vacuole, hydrolase, thiohydroximate, glucosinolate, family 1 glycosyl hydrolase, glycosidase, glycoprotein
• Biological source: SINAPIS ALBA (WHITE MUSTARD)
• Total number of polymer chains: 1
• Total formula weight: 63139.24

Authors

Besle, A.,Burmeister, W.P. (deposition date: 2009-11-09, release date: 2010-02-09, Last modification date: 2024-10-09)

Primary citation

Besle, A.,Brazzolotto, X.,Tatibouet, A.,Cerniauskaite, D.,Gallienne, E.,Rollin, P.,Burmeister, W.P.
A Micromolar O-Sulfated Thiohydroximate Inhibitor Bound to Plant Myrosinase
Acta Crystallogr.,Sect.F, 66:152-, 2010

PubMed Abstract: The 1.6 A resolution structure of the micromolar competitive inhibitor S-(N,N-dimethylaminoethyl) phenylacetothiohydroximate-O-sulfate bound to Sinapis alba myrosinase, a plant thioglucosidase, is reported. Myrosinase and its substrates, the glucosinolates, are part of the plant's defence system. The sulfate group and the phenyl group of the inhibitor bind to the aglycon-binding site of the enzyme, whereas the N,N-dimethyl group binds to the glucose-binding site and explains the large improvement in binding affinity compared with previous compounds. The structure suggests ways to increase the potency and specificity of the compound by improving the interactions with the hydrophobic pocket of the aglycon-binding site.

PubMed: 20124710
DOI: 10.1107/S1744309109052865

Experimental method

X-RAY DIFFRACTION (1.6 Å)