4agj

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[[Image:4agj.png|left|200px]]
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==Crystal structure of the capsid protein (110-267) from Aura virus in complex with dioxane==
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<StructureSection load='4agj' size='340' side='right' caption='[[4agj]], [[Resolution|resolution]] 1.98&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[4agj]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Aura_virus Aura virus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4AGJ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4AGJ 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=DIO:1,4-DIETHYLENE+DIOXIDE'>DIO</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4agk|4agk]]</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/Togavirin Togavirin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.90 3.4.21.90] </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=4agj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4agj OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4agj RCSB], [http://www.ebi.ac.uk/pdbsum/4agj PDBsum]</span></td></tr>
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</table>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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The nucleocapsid core interaction with endodomains of glycoproteins plays a critical role in the alphavirus life cycle that is essential to virus budding. Recent cryo-electron microscopy (cryo-EM) studies provide structural insights into key interactions between capsid protein (CP) and trans-membrane glycoproteins E1 and E2. CP possesses a chymotrypsin-like fold with a hydrophobic pocket at the surface responsible for interaction with glycoproteins. In the present study, crystal structures of the protease domain of CP from Aura virus and its complex with dioxane were determined at 1.81 and 1.98 A resolution respectively. Due to the absence of crystal structures, homology models of E1 and E2 from Aura virus were generated. The crystal structure of CP and structural models of E1 and E2 were fitted into the cryo-EM density map of Venezuelan equine encephalitis virus (VEEV) for detailed analysis of CP-glycoprotein interactions. Structural analysis revealed that the E2 endodomain consists of a helix-loop-helix motif where the loop region fits into the hydrophobic pocket of CP. Our studies suggest that Cys397, Cys418 and Tyr401 residues of E2 are involved in stabilizing the structure of E2 endodomain. Density map fitting analysis revealed that Pro405, a conserved E2 residue is present in the loop region of the E2 endodomain helix-loop-helix structure and makes intermolecular hydrophobic contacts with the capsid. In the Aura virus capsid protease (AVCP)-dioxane complex structure, dioxane occupies the hydrophobic pocket on CP and structurally mimics the hydrophobic pyrollidine ring of Pro405 in the loop region of E2.
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{{STRUCTURE_4agj| PDB=4agj | SCENE= }}
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Crystal structure of aura virus capsid protease and its complex with dioxane: new insights into capsid-glycoprotein molecular contacts.,Aggarwal M, Tapas S, Preeti, Siwach A, Kumar P, Kuhn RJ, Tomar S PLoS One. 2012;7(12):e51288. doi: 10.1371/journal.pone.0051288. Epub 2012 Dec 14. PMID:23251484<ref>PMID:23251484</ref>
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===Crystal structure of the capsid protein (110-267) from Aura virus in complex with dioxane===
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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_23251484}}
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==See Also==
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*[[Virus coat protein|Virus coat protein]]
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==About this Structure==
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== References ==
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[[4agj]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Aura_virus Aura virus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4AGJ OCA].
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<references/>
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__TOC__
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</StructureSection>
[[Category: Aura virus]]
[[Category: Aura virus]]
[[Category: Togavirin]]
[[Category: Togavirin]]
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[[Category: Aggarwal, M.]]
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[[Category: Aggarwal, M]]
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[[Category: Kumar, P.]]
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[[Category: Kumar, P]]
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[[Category: Tomar, S.]]
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[[Category: Tomar, S]]
[[Category: Dioxane]]
[[Category: Dioxane]]
[[Category: Hydrolase]]
[[Category: Hydrolase]]
[[Category: Viral protein]]
[[Category: Viral protein]]

Revision as of 15:25, 9 December 2014

Crystal structure of the capsid protein (110-267) from Aura virus in complex with dioxane

4agj, resolution 1.98Å

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