2jiw
From Proteopedia
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| - | [[Image:2jiw. | + | [[Image:2jiw.jpg|left|200px]]<br /><applet load="2jiw" size="450" color="white" frame="true" align="right" spinBox="true" |
| - | <applet load="2jiw" size="450" color="white" frame="true" align="right" spinBox="true" | + | |
caption="2jiw, resolution 1.95Å" /> | caption="2jiw, resolution 1.95Å" /> | ||
'''BACTEROIDES THETAIOTAOMICRON GH84 O-GLCNACASE IN COMPLEX WITH 2-ACETYLAMINO-2-DEOXY-1-EPIVALIENAMINE'''<br /> | '''BACTEROIDES THETAIOTAOMICRON GH84 O-GLCNACASE IN COMPLEX WITH 2-ACETYLAMINO-2-DEOXY-1-EPIVALIENAMINE'''<br /> | ||
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==About this Structure== | ==About this Structure== | ||
| - | 2JIW is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Bacteroides_thetaiotaomicron Bacteroides thetaiotaomicron] with BEU as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [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] | + | 2JIW is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Bacteroides_thetaiotaomicron Bacteroides thetaiotaomicron] with BEU as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [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] Known structural/functional Site: <scene name='pdbsite=AC1:Beu Binding Site For Chain B'>AC1</scene>. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=2JIW OCA]. |
==Reference== | ==Reference== | ||
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[[Category: o-glcnacase]] | [[Category: o-glcnacase]] | ||
| - | ''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Dec 18 20:11:48 2007'' |
Revision as of 18:02, 18 December 2007
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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 BEU 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
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