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4d8s

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[[Image:4d8s.jpg|left|200px]]
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==Influenza NA in complex with antiviral compound==
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<StructureSection load='4d8s' size='340' side='right' caption='[[4d8s]], [[Resolution|resolution]] 2.40&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[4d8s]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/I63a3 I63a3]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4D8S OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4D8S 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=0HX:PENTAN-3-YL+2-(ACETYLAMINO)-2,4-DIDEOXY-ALPHA-L-THREO-HEX-4-ENOPYRANOSIDURONIC+ACID'>0HX</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene></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/Exo-alpha-sialidase Exo-alpha-sialidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.18 3.2.1.18] </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=4d8s FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4d8s OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4d8s RCSB], [http://www.ebi.ac.uk/pdbsum/4d8s PDBsum]</span></td></tr>
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</table>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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A series of C3 O-functionalized 2-acetamido-2-deoxy-Delta(4)-beta-D-glucuronides were synthesized to explore noncharge interactions in subsite 2 of the influenza virus sialidase active site. In complex with A/N8 sialidase, the parent compound (C3 OH) inverts its solution conformation to bind with all substituents well positioned in the active site. The parent compound inhibits influenza virus sialidase at a sub-muM level; the introduction of small alkyl substituents or an acetyl group at C3 is also tolerated.
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{{STRUCTURE_4d8s| PDB=4d8s | SCENE= }}
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Exploring the interactions of unsaturated glucuronides with influenza virus sialidase.,Bhatt B, Bohm R, Kerry PS, Dyason JC, Russell RJ, Thomson RJ, von Itzstein M J Med Chem. 2012 Oct 25;55(20):8963-8. doi: 10.1021/jm301145k. Epub 2012 Oct 11. PMID:23017008<ref>PMID:23017008</ref>
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===Influenza NA in complex with antiviral compound===
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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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{{ABSTRACT_PUBMED_23017008}}
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==See Also==
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*[[Neuraminidase|Neuraminidase]]
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==About this Structure==
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== References ==
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[[4d8s]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Influenza_a_virus Influenza a virus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4D8S OCA].
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<references/>
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__TOC__
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</StructureSection>
[[Category: Exo-alpha-sialidase]]
[[Category: Exo-alpha-sialidase]]
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[[Category: Influenza a virus]]
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[[Category: I63a3]]
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[[Category: Kerry, P S.]]
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[[Category: Kerry, P S]]
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[[Category: Russell, R J.M R.]]
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[[Category: Russell, R J.M R]]
[[Category: Hydrolase]]
[[Category: Hydrolase]]
[[Category: Neuraminidase]]
[[Category: Neuraminidase]]

Revision as of 16:41, 9 December 2014

Influenza NA in complex with antiviral compound

4d8s, resolution 2.40Å

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