4rna: Difference between revisions

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'''Unreleased structure'''
==Crystal structure of PLpro from Middle East Respiratory Syndrome (MERS) coronavirus==
<StructureSection load='4rna' size='340' side='right' caption='[[4rna]], [[Resolution|resolution]] 1.79&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[4rna]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4RNA OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4RNA FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CSS:S-MERCAPTOCYSTEINE'>CSS</scene>, <scene name='pdbligand=OCS:CYSTEINESULFONIC+ACID'>OCS</scene></td></tr>
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4pt5|4pt5]]</td></tr>
<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=4rna FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rna OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4rna RCSB], [http://www.ebi.ac.uk/pdbsum/4rna PDBsum]</span></td></tr>
</table>
== Function ==
[[http://www.uniprot.org/uniprot/K4LC41_9BETC K4LC41_9BETC]] Nsp7-nsp8 hexadecamer may possibly confer processivity to the polymerase, maybe by binding to dsRNA or by producing primers utilized by the latter (By similarity).[SAAS:SAAS014829_004_014545]  Nsp9 is a ssRNA-binding protein (By similarity).[SAAS:SAAS014829_004_001449]
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The Middle East Respiratory Syndrome coronavirus (MERS-CoV) papain-like protease (PLpro) blocking loop 2 (BL2) structure differs significantly from that of SARS-CoV PLpro, where it has been proven to play a crucial role in SARS-CoV PLpro inhibitor binding. Four SARS-CoV PLpro lead inhibitors were tested against MERS-CoV PLpro, none of which were effective against MERS-CoV PLpro. Structure and sequence alignments revealed that two residues, Y269 and Q270, responsible for inhibitor binding to SARS-CoV PLpro, were replaced by T274 and A275 in MERS-CoV PLpro, making critical binding interactions difficult to form for similar types of inhibitors. High-throughput screening (HTS) of 25000 compounds against both PLpro enzymes identified a small fragment-like noncovalent dual inhibitor. Mode of inhibition studies by enzyme kinetics and competition surface plasmon resonance (SPR) analyses suggested that this compound acts as a competitive inhibitor with an IC50 of 6 muM against MERS-CoV PLpro, indicating that it binds to the active site, whereas it acts as an allosteric inhibitor against SARS-CoV PLpro with an IC50 of 11 muM. These results raised the possibility that inhibitor recognition specificity of MERS-CoV PLpro may differ from that of SARS-CoV PLpro. In addition, inhibitory activity of this compound was selective for SARS-CoV and MERS-CoV PLpro enzymes over two human homologues, the ubiquitin C-terminal hydrolases 1 and 3 (hUCH-L1 and hUCH-L3).


The entry 4rna is ON HOLD  until Paper Publication
Inhibitor Recognition Specificity of MERS-CoV Papain-like Protease May Differ from That of SARS-CoV.,Lee H, Lei H, Santarsiero BD, Gatuz JL, Cao S, Rice AJ, Patel K, Szypulinski MZ, Ojeda I, Ghosh AK, Johnson ME ACS Chem Biol. 2015 Mar 16. PMID:25746232<ref>PMID:25746232</ref>


Authors: Lei, H., Santarsiero, B.D., Lee, H., Johnson, M.E.
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
 
</div>
Description: Crystal structure of PLpro from Middle East Respiratory Syndrome (MERS) coronavirus
== References ==
[[Category: Unreleased Structures]]
<references/>
__TOC__
</StructureSection>
[[Category: Johnson, M E]]
[[Category: Lee, H]]
[[Category: Lee, H]]
[[Category: Santarsiero, B.D]]
[[Category: Lei, H]]
[[Category: Lei, H]]
[[Category: Johnson, M.E]]
[[Category: Santarsiero, B D]]
[[Category: Coronavirus]]
[[Category: Hydrolase]]
[[Category: Mer]]
[[Category: Papain-like protease]]
[[Category: Plpro]]
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