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2j4g

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[[Category: thiazoline]]
[[Category: thiazoline]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Oct 30 13:45:54 2007''
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Oct 30 17:23:58 2007''

Revision as of 15:19, 30 October 2007

Image:2j4g.gif

2j4g, resolution 2.25Å

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BACTEROIDES THETAIOTAOMICRON GH84 O-GLCNACASE IN COMPLEX WITH N-BUTYL-THIAZOLINE INHIBITOR

Overview

O-GlcNAcase catalyzes the cleavage of beta-O-linked, 2-acetamido-2-deoxy-beta-d-glucopyranoside (O-GlcNAc) from serine and, threonine residues of post-translationally modified proteins. Two potent, inhibitors of this enzyme are, O-(2-acetamido-2-deoxy-d-glucopyranosylidene)amino-N-phenylcarbamate, (PUGNAc) and, 1,2-dideoxy-2'-methyl-alpha-d-glucopyranoso[2,1-d]-Delta2'-thiazoline, (NAG-thiazoline). Derivatives of these inhibitors differ in their, selectivity for human O-GlcNAcase over the functionally related human, lysosomal beta-hexosamindases, with PUGNAc derivatives showing modest, selectivities and NAG-thiazoline derivatives showing high selectivities., The molecular basis for this difference in selectivities is addressed as, is how well these inhibitors mimic the ... [(full description)]

About this Structure

2J4G is a [Single protein] structure of sequence from [Bacteroides thetaiotaomicron] with ACT, NB1 and GOL as [ligands]. Active as [Beta-N-acetylhexosaminidase], with EC number [3.2.1.52]. Structure known Active Site: AC1. Full crystallographic information is available from [OCA].

Reference

Analysis of PUGNAc and NAG-thiazoline as transition state analogues for human O-GlcNAcase: mechanistic and structural insights into inhibitor selectivity and transition state poise., Whitworth GE, Macauley MS, Stubbs KA, Dennis RJ, Taylor EJ, Davies GJ, Greig IR, Vocadlo DJ, J Am Chem Soc. 2007 Jan 24;129(3):635-44. PMID:17227027

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