3e90

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[[Image:3e90.png|left|200px]]
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==West Nile vi rus NS2B-NS3protease in complexed with inhibitor Naph-KKR-H==
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<StructureSection load='3e90' size='340' side='right' caption='[[3e90]], [[Resolution|resolution]] 2.45&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3e90]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/West_nile_virus West nile virus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3E90 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3E90 FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NKK:N~2~-(NAPHTHALEN-2-YLCARBONYL)-L-LYSYL-N-[(1S)-4-CARBAMIMIDAMIDO-1-FORMYLBUTYL]-L-LYSINAMIDE'>NKK</scene></td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">NS2B-NS3PROTEASE ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=11082 West Nile virus])</td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Flavivirin Flavivirin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.91 3.4.21.91] </span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3e90 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3e90 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3e90 RCSB], [http://www.ebi.ac.uk/pdbsum/3e90 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/e9/3e90_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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Over the last decade, West Nile virus has spread rapidly via mosquito transmission from infected migratory birds to humans. One potential therapeutic approach to treating infection is to inhibit the virally encoded serine protease that is essential for viral replication. Here we report the crystal structure of the viral NS3 protease tethered to its essential NS2B cofactor and bound to a potent substrate-based tripeptide inhibitor, 2-naphthoyl-Lys-Lys-Arg-H (K(i)=41 nM), capped at the N-terminus by 2-naphthoyl and capped at the C-terminus by aldehyde. An important and unexpected feature of this structure is the presence of two conformations of the catalytic histidine suggesting a role for ligand stabilization of the catalytically competent His conformation. Analysis of other West Nile virus NS3 protease structures and related serine proteases supports this hypothesis, suggesting that the common catalytic mechanism involves an induced-fit mechanism.
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{{STRUCTURE_3e90| PDB=3e90 | SCENE= }}
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Structure of West Nile virus NS3 protease: ligand stabilization of the catalytic conformation.,Robin G, Chappell K, Stoermer MJ, Hu SH, Young PR, Fairlie DP, Martin JL J Mol Biol. 2009 Feb 6;385(5):1568-77. Epub 2008 Nov 25. PMID:19059417<ref>PMID:19059417</ref>
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===West Nile vi rus NS2B-NS3protease in complexed with inhibitor Naph-KKR-H===
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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_19059417}}
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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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[[3e90]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/West_nile_virus West nile virus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3E90 OCA].
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</StructureSection>
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==Reference==
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<ref group="xtra">PMID:019059417</ref><references group="xtra"/>
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[[Category: Flavivirin]]
[[Category: Flavivirin]]
[[Category: West nile virus]]
[[Category: West nile virus]]
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[[Category: Martin, J L.]]
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[[Category: Martin, J L]]
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[[Category: Robin, G.]]
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[[Category: Robin, G]]
[[Category: Atp-binding]]
[[Category: Atp-binding]]
[[Category: Capsid protein]]
[[Category: Capsid protein]]
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[[Category: Trypsin-like serine protease]]
[[Category: Trypsin-like serine protease]]
[[Category: Virion]]
[[Category: Virion]]
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[[Category: West nile virus]]
 

Revision as of 13:16, 19 November 2014

West Nile vi rus NS2B-NS3protease in complexed with inhibitor Naph-KKR-H

3e90, resolution 2.45Å

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