View source for 5abj


==Structure of Coxsackievirus A16 in complex with GPP3==
<StructureSection load='5abj' size='340' side='right'caption='[[5abj]], [[Resolution|resolution]] 2.75&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[5abj]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Coxsackievirus_A16 Coxsackievirus A16]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5ABJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5ABJ FirstGlance]. <br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.75&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=YM2:1-[(3S)-5-[4-[(E)-ETHOXYIMINOMETHYL]PHENOXY]-3-METHYL-PENTYL]-3-PYRIDIN-4-YL-IMIDAZOLIDIN-2-ONE'>YM2</scene></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=5abj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5abj OCA], [https://pdbe.org/5abj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5abj RCSB], [https://www.ebi.ac.uk/pdbsum/5abj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5abj ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/I3W9E1_9ENTO I3W9E1_9ENTO] Protein 2C associates with and induces structural rearrangements of intracellular membranes. It displays RNA-binding, nucleotide binding and NTPase activities (By similarity).[SAAS:SAAS000199_004_016611]  Protein 3C is a cysteine protease that generates mature viral proteins from the precursor polyprotein. In addition to its proteolytic activity, it binds to viral RNA, and thus influences viral genome replication. RNA and substrate bind co-operatively to the protease (By similarity).[SAAS:SAAS000199_004_042266]  RNA-directed RNA polymerase 3D-POL replicates genomic and antigenomic RNA by recognizing replications specific signals (By similarity).[SAAS:SAAS000199_004_010047]
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== Publication Abstract from PubMed ==
The replication of enterovirus 71 (EV71) and coxsackievirus A16 (CVA16), which are the major cause of hand, foot and mouth disease (HFMD) in children, can be inhibited by the capsid binder GPP3. Here, we present the crystal structure of CVA16 in complex with GPP3, which clarifies the role of the key residues involved in interactions with the inhibitor. Based on this model, in silico docking was performed to investigate the interactions with the two next-generation capsid binders NLD and ALD, which we show to be potent inhibitors of a panel of enteroviruses with potentially interesting pharmacological properties. A meta-analysis was performed using the available structural information to obtain a deeper insight into those structural features required for capsid binders to interact effectively and also those that confer broad-spectrum anti-enterovirus activity.

Structure Elucidation of Coxsackievirus A16 in Complex with GPP3 Informs a Systematic Review of Highly Potent Capsid Binders to Enteroviruses.,De Colibus L, Wang X, Tijsma A, Neyts J, Spyrou JA, Ren J, Grimes JM, Puerstinger G, Leyssen P, Fry EE, Rao Z, Stuart DI PLoS Pathog. 2015 Oct 20;11(10):e1005165. doi: 10.1371/journal.ppat.1005165., eCollection 2015 Oct. PMID:26485389<ref>PMID:26485389</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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<div class="pdbe-citations 5abj" style="background-color:#fffaf0;"></div>

==See Also==
*[[Virus coat proteins 3D structures|Virus coat proteins 3D structures]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Coxsackievirus A16]]
[[Category: Large Structures]]
[[Category: De Colibus L]]
[[Category: Fry EE]]
[[Category: Grimes JM]]
[[Category: Leyssen P]]
[[Category: Neyts J]]
[[Category: Puerstinger G]]
[[Category: Rao Z]]
[[Category: Ren J]]
[[Category: Spyrou JAB]]
[[Category: Stuart DI]]
[[Category: Tijsma A]]
[[Category: Wang X]]