2vj1

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[[Image:2vj1.png|left|200px]]
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==A STRUCTURAL VIEW OF THE INACTIVATION OF THE SARS-CORONAVIRUS MAIN PROTEINASE BY BENZOTRIAZOLE ESTERS==
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<StructureSection load='2vj1' size='340' side='right' caption='[[2vj1]], [[Resolution|resolution]] 2.25&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[2vj1]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Sars_coronavirus Sars coronavirus]. This structure supersedes the now removed PDB entry [http://oca.weizmann.ac.il/oca-bin/send-pdb?obs=1&id=2cgg 2cgg]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2VJ1 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2VJ1 FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BEZ:BENZOIC+ACID'>BEZ</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=XP1:4-(DIMETHYLAMINO)BENZOIC+ACID'>XP1</scene><br>
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<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2vj1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vj1 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2vj1 RCSB], [http://www.ebi.ac.uk/pdbsum/2vj1 PDBsum]</span></td></tr>
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<table>
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/vj/2vj1_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</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/chain_selection.php?pdb_ID=2ata ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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The main proteinase (M(pro)) of the severe acute respiratory syndrome (SARS) coronavirus is a principal target for the design of anticoronaviral compounds. Benzotriazole esters have been reported as potent nonpeptidic inhibitors of the enzyme, but their exact mechanism of action remains unclear. Here we present crystal structures of SARS-CoV M(pro), the active-site cysteine of which has been acylated by benzotriazole esters that act as suicide inhibitors. In one of the structures, the thioester product has been hydrolyzed and benzoic acid is observed to bind to the hydrophobic S2 pocket. This structure also features the enzyme with a shortened N-terminal segment ("amputated N finger"). The results further the understanding of the important role of the N finger for catalysis as well as the design of benzotriazole inhibitors with improved specificity.
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{{STRUCTURE_2vj1| PDB=2vj1 | SCENE= }}
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A structural view of the inactivation of the SARS coronavirus main proteinase by benzotriazole esters.,Verschueren KH, Pumpor K, Anemuller S, Chen S, Mesters JR, Hilgenfeld R Chem Biol. 2008 Jun;15(6):597-606. PMID:18559270<ref>PMID:18559270</ref>
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===A STRUCTURAL VIEW OF THE INACTIVATION OF THE SARS-CORONAVIRUS MAIN PROTEINASE BY BENZOTRIAZOLE ESTERS===
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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{{ABSTRACT_PUBMED_18559270}}
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==About this Structure==
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[[2vj1]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Sars_coronavirus Sars coronavirus]. This structure supersedes the now removed PDB entry [http://oca.weizmann.ac.il/oca-bin/send-pdb?obs=1&id=2cgg 2cgg]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2VJ1 OCA].
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==See Also==
==See Also==
*[[SARS Coronavirus Main Proteinase|SARS Coronavirus Main Proteinase]]
*[[SARS Coronavirus Main Proteinase|SARS Coronavirus Main Proteinase]]
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== References ==
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==Reference==
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<references/>
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<ref group="xtra">PMID:018559270</ref><references group="xtra"/>
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__TOC__
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</StructureSection>
[[Category: Sars coronavirus]]
[[Category: Sars coronavirus]]
[[Category: Anemueller, S.]]
[[Category: Anemueller, S.]]

Revision as of 06:24, 29 September 2014

A STRUCTURAL VIEW OF THE INACTIVATION OF THE SARS-CORONAVIRUS MAIN PROTEINASE BY BENZOTRIAZOLE ESTERS

2vj1, resolution 2.25Å

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