2j47: Difference between revisions

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[[Image:2j47.gif|left|200px]]
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{{STRUCTURE_2j47|  PDB=2j47  |  SCENE=  }}
'''BACTEROIDES THETAIOTAOMICRON GH84 O-GLCNACASE IN COMPLEX WITH A IMIDAZOLE-PUGNAC HYBRID INHIBITOR'''


==Bacteroides thetaiotaomicron GH84 O-GlcNAcase in complex with a imidazole-pugnac hybrid inhibitor==
<StructureSection load='2j47' size='340' side='right'caption='[[2j47]], [[Resolution|resolution]] 1.98&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[2j47]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Bacteroides_thetaiotaomicron_VPI-5482 Bacteroides thetaiotaomicron VPI-5482]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2J47 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2J47 FirstGlance]. <br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.98&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GDV:(5R,6R,7R,8S)-8-(ACETYLAMINO)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-N-PHENYL-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-2-CARBOXAMIDE'>GDV</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2j47 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2j47 OCA], [https://pdbe.org/2j47 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2j47 RCSB], [https://www.ebi.ac.uk/pdbsum/2j47 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2j47 ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/OGA_BACTN OGA_BACTN] Biological function unknown. Capable of hydrolyzing the glycosidic link of O-GlcNAcylated proteins.
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
Check<jmol>
  <jmolCheckbox>
    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/j4/2j47_consurf.spt"</scriptWhenChecked>
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
    <text>to colour the structure by Evolutionary Conservation</text>
  </jmolCheckbox>
</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=2j47 ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Synthesis of a PUGNAc-imidazole hybrid and its characterization as an inhibitor of human O-GlcNAcase through enzyme kinetics and X-ray structural analysis.


==Overview==
Inhibition of O-GlcNAcase by a gluco-configured nagstatin and a PUGNAc-imidazole hybrid inhibitor.,Shanmugasundaram B, Debowski AW, Dennis RJ, Davies GJ, Vocadlo DJ, Vasella A Chem Commun (Camb). 2006 Nov 13;(42):4372-4. Epub 2006 Sep 29. PMID:17057847<ref>PMID:17057847</ref>
Synthesis of a PUGNAc-imidazole hybrid and its characterization as an inhibitor of human O-GlcNAcase through enzyme kinetics and X-ray structural analysis.


==About this Structure==
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
2J47 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Bacteroides_thetaiotaomicron Bacteroides thetaiotaomicron]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2J47 OCA].
</div>
<div class="pdbe-citations 2j47" style="background-color:#fffaf0;"></div>


==Reference==
==See Also==
Inhibition of O-GlcNAcase by a gluco-configured nagstatin and a PUGNAc-imidazole hybrid inhibitor., Shanmugasundaram B, Debowski AW, Dennis RJ, Davies GJ, Vocadlo DJ, Vasella A, Chem Commun (Camb). 2006 Nov 13;(42):4372-4. Epub 2006 Sep 29. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17057847 17057847]
*[[O-GlcNAcase|O-GlcNAcase]]
[[Category: Bacteroides thetaiotaomicron]]
== References ==
[[Category: Beta-N-acetylhexosaminidase]]
<references/>
[[Category: Single protein]]
__TOC__
[[Category: Davies, G J.]]
</StructureSection>
[[Category: Dennis, R J.]]
[[Category: Bacteroides thetaiotaomicron VPI-5482]]
[[Category: Enzyme]]
[[Category: Large Structures]]
[[Category: Gh84]]
[[Category: Davies GJ]]
[[Category: Imidazole]]
[[Category: Dennis RJ]]
[[Category: Inhibition]]
[[Category: Inhibitor]]
[[Category: O-glcnacase]]
[[Category: Pugnac]]
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