5c20

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'''Unreleased structure'''
 
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The entry 5c20 is ON HOLD until Paper Publication
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==Crystal structure of EV71 3C Proteinase in complex with Compound 2==
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<StructureSection load='5c20' size='340' side='right' caption='[[5c20]], [[Resolution|resolution]] 2.75&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[5c20]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5C20 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5C20 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=GHZ:NALPHA-[(2-METHYLPROPOXY)CARBONYL]-N-{(2S)-1-OXO-3-[(3S)-2-OXOPYRROLIDIN-3-YL]PROPAN-2-YL}-L-PHENYLALANINAMIDE'>GHZ</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4ghq|4ghq]], [[4ght|4ght]], [[5c1u|5c1u]], [[5c1x|5c1x]], [[5c1y|5c1y]]</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/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>
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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=5c20 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5c20 OCA], [http://pdbe.org/5c20 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5c20 RCSB], [http://www.ebi.ac.uk/pdbsum/5c20 PDBsum]</span></td></tr>
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</table>
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== Function ==
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[[http://www.uniprot.org/uniprot/A9XG43_9ENTO A9XG43_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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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Enterovirus 71 (EV71) is the causative agent of hand, foot and mouth disease and can spread its infections to the central nervous and other systems with severe consequences. The replication of EV71 depends on its 3C proteinase (3Cpro ), a significant drug target. By X-ray crystallography and functional assays, the interactions between inhibitors and EV71 3Cpro were evaluated. It was shown that improved interactions at S4 for the substrate binding could significantly enhance the potency. A new series of potent inhibitors with high ligand efficiency was generated for developing antivirals to treat and control the EV71-associated diseases. Copyright (c) 2016 John Wiley &amp; Sons, Ltd.
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Authors: Zhang, L., Huang, G., Cai, Q., Zhao, C., Ren, H., Li, P., Li, N., Chen, S., Li, J., Lin, T.
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Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71.,Zhang L, Huang G, Cai Q, Zhao C, Tang L, Ren H, Li P, Li N, Huang J, Chen X, Guan Y, You H, Chen S, Li J, Lin T J Mol Recognit. 2016 May 17. doi: 10.1002/jmr.2551. PMID:27185390<ref>PMID:27185390</ref>
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Description: Crystal structure of EV71 3C Proteinase in complex with Compound 2
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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[[Category: Unreleased Structures]]
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</div>
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<div class="pdbe-citations 5c20" style="background-color:#fffaf0;"></div>
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Picornain 3C]]
[[Category: Cai, Q]]
[[Category: Cai, Q]]
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[[Category: Zhao, C]]
 
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[[Category: Lin, T]]
 
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[[Category: Li, J]]
 
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[[Category: Zhang, L]]
 
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[[Category: Huang, G]]
 
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[[Category: Ren, H]]
 
[[Category: Chen, S]]
[[Category: Chen, S]]
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[[Category: Huang, G]]
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[[Category: Li, J]]
[[Category: Li, N]]
[[Category: Li, N]]
[[Category: Li, P]]
[[Category: Li, P]]
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[[Category: Lin, T]]
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[[Category: Ren, H]]
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[[Category: Zhang, L]]
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[[Category: Zhao, C]]
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[[Category: Cysteine proteinase]]
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[[Category: Hydrolase]]
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[[Category: Hydrolase-hydrolase inhibitor complex]]
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[[Category: Inhibitor]]

Revision as of 15:37, 1 June 2016

Crystal structure of EV71 3C Proteinase in complex with Compound 2

5c20, resolution 2.75Å

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