Proteopedia

3q3y: Difference between revisions

← Older editNewer edit →
No edit summary
No edit summary
Line 1: Line 1:
[[Image:3q3y.png|left|200px]]
==Complex structure of HEVB EV93 main protease 3C with Compound 1 (AG7404)==
<StructureSection load='3q3y' size='340' side='right' caption='[[3q3y]], [[Resolution|resolution]] 1.32&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[3q3y]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human_enterovirus_b Human enterovirus b]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3Q3Y OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3Q3Y FirstGlance]. <br>
</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=NH4:AMMONIUM+ION'>NH4</scene>, <scene name='pdbligand=PI:HYDROGENPHOSPHATE+ION'>PI</scene>, <scene name='pdbligand=XNV:ETHYL+(4R)-4-({(2S)-2-[3-{[(5-METHYL-1,2-OXAZOL-3-YL)CARBONYL]AMINO}-2-OXOPYRIDIN-1(2H)-YL]PENT-4-YNOYL}AMINO)-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE'>XNV</scene><br>
<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3q3x|3q3x]]</td></tr>
<tr><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">3C ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=138949 Human enterovirus B])</td></tr>
<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Picornain_3C Picornain 3C], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.28 3.4.22.28] </span></td></tr>
<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=3q3y FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3q3y OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3q3y RCSB], [http://www.ebi.ac.uk/pdbsum/3q3y PDBsum]</span></td></tr>
<table>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The Enteroviruses genus of the Picornaviridae family is abundant with common human pathogens that belong to rhinoviruses (HRVs) and enteroviruses (EVs), including diverse echo-, coxsackie- and polio- viruses. They cause a wide spectrum of clinical manifestations ranging from asymptomatic to severe diseases with neurological and/or cardiac manifestations. Pandemic outbreaks of EVs may be accompanied with meningitis and/or paralysis and can be fatal. However, there is no effective prophylaxis or antiviral treatment available against most EVs. The EV RNA genome directs the synthesis of a single polyprotein that is auto-catalytically processed into mature proteins by the 3C protease at Gln downward arrowGly sites, with narrow conserved substrate specificity. These cleavages are essential for virus replication, making 3C(pro) an excellent target for antivirus drug development. In this study, we report the first crystal structures of the 3C(pro) from an enterovirus B, EV-93, a recently identified pathogen, alone and in complex with the anti-HRV molecules Compound 1 (AG7404) and Rupintrivir (AG7088), at 1.9, 1.3 and 1.5-A resolution, respectively. The EV-93 3C(pro) adopts a chymotrypsin-like fold with a canonically configured oxyanion hole and a substrate binding pocket similar to that of rhino-, coxsackie- and poliovirus 3C proteases. We show that Compound 1 and Rupintrivir are both active against EV-93 in infected cells, and inhibit the proteolytic activity of EV-93 3C(pro) in vitro. These results provide a framework for further structure-guided optimization of the tested compounds to produce antiviral drugs against a broad range of EV species.


<!--
Structural basis for antiviral inhibition of the main protease 3C from human enterovirus 93.,Costenaro L, Kaczmarska Z, Arnan C, Janowski R, Coutard B, Sola M, Gorbalenya AE, Norder H, Canard B, Coll M J Virol. 2011 Aug 10. PMID:21835784<ref>PMID:21835784</ref>
The line below this paragraph, containing "STRUCTURE_3q3y", creates the "Structure Box" on the page.
You may change the PDB parameter (which sets the PDB file loaded into the applet)
or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
or leave the SCENE parameter empty for the default display.
-->
{{STRUCTURE_3q3y|  PDB=3q3y  |  SCENE=  }}


===Complex structure of HEVB EV93 main protease 3C with Compound 1 (AG7404)===
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
 
</div>
 
== References ==
<!--
<references/>
The line below this paragraph, {{ABSTRACT_PUBMED_21835784}}, adds the Publication Abstract to the page
__TOC__
(as it appears on PubMed at http://www.pubmed.gov), where 21835784 is the PubMed ID number.
</StructureSection>
-->
{{ABSTRACT_PUBMED_21835784}}
 
==About this Structure==
[[3q3y]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human_enterovirus_b Human enterovirus b]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3Q3Y OCA].
 
==Reference==
<ref group="xtra">PMID:021835784</ref><references group="xtra"/>
[[Category: Human enterovirus b]]
[[Category: Human enterovirus b]]
[[Category: Picornain 3C]]
[[Category: Picornain 3C]]

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

OCA
Retrieved from "https://proteopedia.openfox.io/w/3q3y"