2jiw

From Proteopedia

Revision as of 16:03, 21 February 2008 by OCA (Talk | contribs)
Jump to: navigation, search
Image:2jiw.jpg

2jiw, resolution 1.95Å

Drag the structure with the mouse to rotate

BACTEROIDES THETAIOTAOMICRON GH84 O-GLCNACASE IN COMPLEX WITH 2-ACETYLAMINO-2-DEOXY-1-EPIVALIENAMINE

Overview

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.

About this Structure

2JIW is a Single protein structure of sequence from Bacteroides thetaiotaomicron with as ligand. Active as Beta-N-acetylhexosaminidase, with EC number 3.2.1.52 Known structural/functional Site: . Full crystallographic information is available from OCA.

Reference

A 1-acetamido derivative of 6-epi-valienamine: an inhibitor of a diverse group of beta-N-acetylglucosaminidases., Scaffidi A, Stubbs KA, Dennis RJ, Taylor EJ, Davies GJ, Vocadlo DJ, Stick RV, Org Biomol Chem. 2007 Sep 21;5(18):3013-9. Epub 2007 Aug 15. PMID:17728868

Page seeded by OCA on Thu Feb 21 18:03:48 2008

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/2jiw"
Personal tools