1p9s

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[[Image:1p9s.png|left|200px]]
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==Coronavirus Main Proteinase (3CLpro) Structure: Basis for Design of anti-SARS Drugs==
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<StructureSection load='1p9s' size='340' side='right' caption='[[1p9s]], [[Resolution|resolution]] 2.54&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1p9s]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human_coronavirus_229e Human coronavirus 229e]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1P9S OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1P9S FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=DIO:1,4-DIETHYLENE+DIOXIDE'>DIO</scene><br>
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<tr><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=MSE:SELENOMETHIONINE'>MSE</scene></td></tr>
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<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1lvo|1lvo]], [[1p9t|1p9t]], [[1p9u|1p9u]]</td></tr>
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<tr><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">ORF1a ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=11137 Human coronavirus 229E])</td></tr>
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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=1p9s FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1p9s OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1p9s RCSB], [http://www.ebi.ac.uk/pdbsum/1p9s 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/p9/1p9s_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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A novel coronavirus has been identified as the causative agent of severe acute respiratory syndrome (SARS). The viral main proteinase (Mpro, also called 3CLpro), which controls the activities of the coronavirus replication complex, is an attractive target for therapy. We determined crystal structures for human coronavirus (strain 229E) Mpro and for an inhibitor complex of porcine coronavirus [transmissible gastroenteritis virus (TGEV)] Mpro, and we constructed a homology model for SARS coronavirus (SARS-CoV) Mpro. The structures reveal a remarkable degree of conservation of the substrate-binding sites, which is further supported by recombinant SARS-CoV Mpro-mediated cleavage of a TGEV Mpro substrate. Molecular modeling suggests that available rhinovirus 3Cpro inhibitors may be modified to make them useful for treating SARS.
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{{STRUCTURE_1p9s| PDB=1p9s | SCENE= }}
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Coronavirus main proteinase (3CLpro) structure: basis for design of anti-SARS drugs.,Anand K, Ziebuhr J, Wadhwani P, Mesters JR, Hilgenfeld R Science. 2003 Jun 13;300(5626):1763-7. Epub 2003 May 13. PMID:12746549<ref>PMID:12746549</ref>
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===Coronavirus Main Proteinase (3CLpro) Structure: Basis for Design of anti-SARS Drugs===
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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_12746549}}
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== References ==
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<references/>
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==About this Structure==
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__TOC__
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[[1p9s]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Unidentified_human_coronavirus Unidentified human coronavirus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1P9S OCA].
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</StructureSection>
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[[Category: Human coronavirus 229e]]
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==Reference==
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<ref group="xtra">PMID:012746549</ref><references group="xtra"/>
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[[Category: Unidentified human coronavirus]]
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[[Category: Anand, K.]]
[[Category: Anand, K.]]
[[Category: Hilgenfeld, R.]]
[[Category: Hilgenfeld, R.]]

Revision as of 11:07, 3 October 2014

Coronavirus Main Proteinase (3CLpro) Structure: Basis for Design of anti-SARS Drugs

1p9s, resolution 2.54Å

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