2bx3

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[[Image:2bx3.png|left|200px]]
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==CRYSTAL STRUCTURE OF SARS CORONAVIRUS MAIN PROTEINASE (P43212)==
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<StructureSection load='2bx3' size='340' side='right' caption='[[2bx3]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[2bx3]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Sars_coronavirus_sin2774 Sars coronavirus sin2774]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2BX3 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2BX3 FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1o5s|1o5s]], [[1p4x|1p4x]], [[1p76|1p76]], [[1p9s|1p9s]], [[1p9t|1p9t]], [[1p9u|1p9u]], [[1pa5|1pa5]], [[1puk|1puk]], [[1q1x|1q1x]], [[1q2w|1q2w]], [[1q4z|1q4z]], [[1qz8|1qz8]], [[1ssk|1ssk]], [[1sxf|1sxf]], [[1uj1|1uj1]], [[1uk2|1uk2]], [[1uk3|1uk3]], [[1uk4|1uk4]], [[1uw7|1uw7]], [[1wnc|1wnc]], [[1xak|1xak]], [[1xjp|1xjp]], [[1xjr|1xjr]], [[2bw6|2bw6]], [[2bx4|2bx4]]</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=2bx3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2bx3 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2bx3 RCSB], [http://www.ebi.ac.uk/pdbsum/2bx3 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/bx/2bx3_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 SARS coronavirus main proteinase (M(pro)) is a key enzyme in the processing of the viral polyproteins and thus an attractive target for the discovery of drugs directed against SARS. The enzyme has been shown by X-ray crystallography to undergo significant pH-dependent conformational changes. Here, we assess the conformational flexibility of the M(pro) by analysis of multiple crystal structures (including two new crystal forms) and by molecular dynamics (MD) calculations. The MD simulations take into account the different protonation states of two histidine residues in the substrate-binding site and explain the pH-activity profile of the enzyme. The low enzymatic activity of the M(pro) monomer and the need for dimerization are also discussed.
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{{STRUCTURE_2bx3| PDB=2bx3 | SCENE= }}
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pH-dependent conformational flexibility of the SARS-CoV main proteinase (M(pro)) dimer: molecular dynamics simulations and multiple X-ray structure analyses.,Tan J, Verschueren KH, Anand K, Shen J, Yang M, Xu Y, Rao Z, Bigalke J, Heisen B, Mesters JR, Chen K, Shen X, Jiang H, Hilgenfeld R J Mol Biol. 2005 Nov 18;354(1):25-40. Epub 2005 Sep 23. PMID:16242152<ref>PMID:16242152</ref>
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===CRYSTAL STRUCTURE OF SARS CORONAVIRUS MAIN PROTEINASE (P43212)===
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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_16242152}}
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==About this Structure==
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[[2bx3]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Sars_coronavirus_sin2774 Sars coronavirus sin2774]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2BX3 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:016242152</ref><references group="xtra"/>
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__TOC__
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</StructureSection>
[[Category: Sars coronavirus sin2774]]
[[Category: Sars coronavirus sin2774]]
[[Category: Hilgenfeld, R.]]
[[Category: Hilgenfeld, R.]]

Revision as of 02:09, 29 September 2014

CRYSTAL STRUCTURE OF SARS CORONAVIRUS MAIN PROTEINASE (P43212)

2bx3, resolution 2.00Å

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