2jiw

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[[Image:2jiw.jpg|left|200px]]
[[Image:2jiw.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 2jiw |SIZE=350|CAPTION= <scene name='initialview01'>2jiw</scene>, resolution 1.95&Aring;
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The line below this paragraph, containing "STRUCTURE_2jiw", creates the "Structure Box" on the page.
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|SITE= <scene name='pdbsite=AC1:Beu+Binding+Site+For+Chain+B'>AC1</scene>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=BEU:N-[(1S,2R,5R,6R)-2-AMINO-5,6-DIHYDROXY-4-(HYDROXYMETHYL)CYCLOHEX-3-EN-1-YL]ACETAMIDE'>BEU</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Beta-N-acetylhexosaminidase Beta-N-acetylhexosaminidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.52 3.2.1.52] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE=
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-->
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|DOMAIN=
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{{STRUCTURE_2jiw| PDB=2jiw | SCENE= }}
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|RELATEDENTRY=[[2chn|2CHN]], [[2cho|2CHO]], [[2j47|2J47]], [[2j4g|2J4G]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2jiw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2jiw OCA], [http://www.ebi.ac.uk/pdbsum/2jiw PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2jiw RCSB]</span>
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}}
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'''BACTEROIDES THETAIOTAOMICRON GH84 O-GLCNACASE IN COMPLEX WITH 2-ACETYLAMINO-2-DEOXY-1-EPIVALIENAMINE'''
'''BACTEROIDES THETAIOTAOMICRON GH84 O-GLCNACASE IN COMPLEX WITH 2-ACETYLAMINO-2-DEOXY-1-EPIVALIENAMINE'''
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[[Category: Davies, G J.]]
[[Category: Davies, G J.]]
[[Category: Dennis, R J.]]
[[Category: Dennis, R J.]]
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[[Category: enzyme]]
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[[Category: Enzyme]]
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[[Category: epivalienamine]]
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[[Category: Epivalienamine]]
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[[Category: gh84]]
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[[Category: Gh84]]
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[[Category: glycosidase]]
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[[Category: Glycosidase]]
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[[Category: hydrolase]]
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[[Category: Hydrolase]]
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[[Category: inhibition]]
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[[Category: Inhibition]]
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[[Category: inhibitor]]
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[[Category: Inhibitor]]
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[[Category: o-glcnacase]]
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[[Category: O-glcnacase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 08:59:40 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 03:58:57 2008''
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Revision as of 05:59, 4 May 2008

Image:2jiw.jpg

Template:STRUCTURE 2jiw

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. 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 Sun May 4 08:59:40 2008

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OCA

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