2j47: Difference between revisions

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-[[Image:2j47.gif|left|200px]]<br /><applet load="2j47" size="450" color="white" frame="true" align="right" spinBox="true"
-caption="2j47, resolution 1.98&Aring;" />
-'''BACTEROIDES THETAIOTAOMICRON GH84 O-GLCNACASE IN COMPLEX WITH A IMIDAZOLE-PUGNAC HYBRID INHIBITOR'''<br />
-==Overview==
+==Bacteroides thetaiotaomicron GH84 O-GlcNAcase in complex with a imidazole-pugnac hybrid inhibitor==
-Synthesis of a PUGNAc-imidazole hybrid and its characterization as an, inhibitor of human O-GlcNAcase through enzyme kinetics and X-ray, structural analysis.
+<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.
-==About this Structure==
+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>
-J47 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 GDV and GOL as [http://en.wikipedia.org/wiki/ligands ligands]. 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:Gdv Binding Site For Chain A'>AC1</scene>. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=2J47 OCA].
-==Reference==
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-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://ispc.weizmann.ac.il//pmbin/getpm?pmid=17057847 17057847]
+</div>
-[[Category: Bacteroides thetaiotaomicron]]
+<div class="pdbe-citations 2j47" style="background-color:#fffaf0;"></div>
-[[Category: Beta-N-acetylhexosaminidase]]
-[[Category: Single protein]]
-[[Category: Davies, G.J.]]
-[[Category: Dennis, R.J.]]
-[[Category: GDV]]
-[[Category: GOL]]
-[[Category: enzyme]]
-[[Category: gh84]]
-[[Category: imidazole]]
-[[Category: inhibition]]
-[[Category: inhibitor]]
-[[Category: o-glcnacase]]
-[[Category: pugnac]]
-''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Dec 18 19:47:53 2007''
+==See Also==
+*[[O-GlcNAcase|O-GlcNAcase]]
+== References ==
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Bacteroides thetaiotaomicron VPI-5482]]
+[[Category: Large Structures]]
+[[Category: Davies GJ]]
+[[Category: Dennis RJ]]