6e3o

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Current revision (14:39, 13 March 2024) (edit) (undo)
 
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<StructureSection load='6e3o' size='340' side='right'caption='[[6e3o]], [[Resolution|resolution]] 3.19&Aring;' scene=''>
<StructureSection load='6e3o' size='340' side='right'caption='[[6e3o]], [[Resolution|resolution]] 3.19&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[6e3o]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/I09a0 I09a0]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6E3O OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6E3O FirstGlance]. <br>
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<table><tr><td colspan='2'>[[6e3o]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Influenza_A_virus_(A/California/04/2009(H1N1)) Influenza A virus (A/California/04/2009(H1N1))]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6E3O OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6E3O 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=HNY:6-(2-ethylphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic+acid'>HNY</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene></td></tr>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 3.19&#8491;</td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">PA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=641501 I09A0])</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=HNY:6-(2-ethylphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic+acid'>HNY</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene></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=6e3o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6e3o OCA], [http://pdbe.org/6e3o PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6e3o RCSB], [http://www.ebi.ac.uk/pdbsum/6e3o PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6e3o ProSAT]</span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=6e3o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6e3o OCA], [https://pdbe.org/6e3o PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6e3o RCSB], [https://www.ebi.ac.uk/pdbsum/6e3o PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6e3o ProSAT]</span></td></tr>
</table>
</table>
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<div style="background-color:#fffaf0;">
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== Function ==
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== Publication Abstract from PubMed ==
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[https://www.uniprot.org/uniprot/C3W5S0_I09A0 C3W5S0_I09A0]
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Significant efforts have been reported on the development of influenza antivirals including inhibitors of the RNA-dependent RNA polymerase PA N-terminal (PAN) endonuclease. Based on recently identified, highly active metal-binding pharmacophores (MBPs) for PAN endonuclease inhibition, a fragment-based drug development campaign was pursued. Guided by coordination chemistry and structure-based drug design, MBP scaffolds were elaborated to improve activity and selectivity. Structure-activity relationships were established and used to generate inhibitors of influenza endonuclease with tight-binding affinities. The activity of these inhibitors was analyzed using a fluorescence-quenching-based nuclease activity assay, and binding was validated using differential scanning fluorometry. Lead compounds were found to be highly selective for PAN endonuclease against several related dinuclear and mononuclear metalloenzymes. Combining principles of bioinorganic and medicinal chemistry in this study has resulted in some of the most active in vitro influenza PAN endonuclease inhibitors with high ligand efficiencies.
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SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.,Credille CV, Morrison CN, Stokes RW, Dick BL, Feng Y, Sun J, Chen Y, Cohen SM J Med Chem. 2019 Nov 14;62(21):9438-9449. doi: 10.1021/acs.jmedchem.9b00747. Epub, 2019 Oct 17. PMID:31536340<ref>PMID:31536340</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 6e3o" style="background-color:#fffaf0;"></div>
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==See Also==
==See Also==
*[[RNA polymerase 3D structures|RNA polymerase 3D structures]]
*[[RNA polymerase 3D structures|RNA polymerase 3D structures]]
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== References ==
 
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<references/>
 
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: I09a0]]
 
[[Category: Large Structures]]
[[Category: Large Structures]]
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[[Category: Cohen, S M]]
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[[Category: Cohen SM]]
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[[Category: Credille, C V]]
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[[Category: Credille CV]]
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[[Category: Dick, B L]]
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[[Category: Dick BL]]
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[[Category: Morrison, C N]]
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[[Category: Morrison CN]]
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[[Category: H1n1]]
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[[Category: Hydrolase-hydrolase inhibitor complex]]
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[[Category: Influenza]]
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[[Category: Inhibitor]]
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[[Category: Pa endonuclease]]
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Current revision

The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 6-(2-ethylphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid

PDB ID 6e3o

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Proteopedia Page Contributors and Editors (what is this?)

OCA

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