6u3f

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<StructureSection load='6u3f' size='340' side='right'caption='[[6u3f]], [[Resolution|resolution]] 1.78&Aring;' scene=''>
<StructureSection load='6u3f' size='340' side='right'caption='[[6u3f]], [[Resolution|resolution]] 1.78&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[6u3f]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6U3F OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6U3F FirstGlance]. <br>
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<table><tr><td colspan='2'>[[6u3f]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/"micrococcus_aureus"_(rosenbach_1884)_zopf_1885 "micrococcus aureus" (rosenbach 1884) zopf 1885]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6U3F OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6U3F FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=PQJ:fos-choline-14'>PQJ</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=PQJ:fos-choline-14'>PQJ</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">lukF-PV, hlgB_1, lukF- PV, LukPV-F, lukPV-F, lukPVF, NCTC6133_01921 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1280 "Micrococcus aureus" (Rosenbach 1884) Zopf 1885])</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=6u3f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6u3f OCA], [http://pdbe.org/6u3f PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6u3f RCSB], [http://www.ebi.ac.uk/pdbsum/6u3f PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6u3f ProSAT]</span></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=6u3f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6u3f OCA], [http://pdbe.org/6u3f PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6u3f RCSB], [http://www.ebi.ac.uk/pdbsum/6u3f PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6u3f ProSAT]</span></td></tr>
</table>
</table>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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The rapid emergence and dissemination of methicillin-resistant Staphylococcus aureus (MRSA) strains poses a major threat to public health. MRSA possesses an arsenal of secreted host-damaging virulence factors that mediate pathogenicity and blunt immune defenses. Panton-Valentine leukocidin (PVL) and alpha-toxin are exotoxins that create lytic pores in the host cell membrane. They are recognized as being important for the development of invasive MRSA infections and are thus potential targets for antivirulence therapies. Here, we report the high-resolution X-ray crystal structures of both PVL and alpha-toxin in their soluble, monomeric and oligomeric membrane-inserted pore states in complex with n-tetradecylphosphocholine (C14PC). The structures revealed two evolutionarily conserved phosphatidylcholine-binding mechanisms and their roles in modulating host cell attachment, oligomer assembly, and membrane perforation. Moreover, we demonstrate that the soluble C14PC compound protects primary human immune cells in vitro against cytolysis by PVL and alpha-toxin and hence may serve as the basis for the development of an antivirulence agent for managing MRSA infections.
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Structure-based discovery of a small-molecule inhibitor of methicillin-resistant Staphylococcus aureus virulence.,Liu J, Kozhaya L, Torres VJ, Unutmaz D, Lu M J Biol Chem. 2020 Mar 16. pii: RA120.012697. doi: 10.1074/jbc.RA120.012697. PMID:32179646<ref>PMID:32179646</ref>
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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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<div class="pdbe-citations 6u3f" style="background-color:#fffaf0;"></div>
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== References ==
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<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>

Revision as of 09:46, 1 April 2020

Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus

PDB ID 6u3f

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