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6br5
From Proteopedia
(Difference between revisions)
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| - | '''Unreleased structure''' | ||
| - | + | ==N2 neuraminidase in complex with a novel antiviral compound== | |
| + | <StructureSection load='6br5' size='340' side='right' caption='[[6br5]], [[Resolution|resolution]] 2.04Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[6br5]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6BR5 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6BR5 FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BMA:BETA-D-MANNOSE'>BMA</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=GYG:(1R)-4-(acetylamino)-1,5-anhydro-3-carbamimidamido-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol'>GYG</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene></td></tr> | ||
| + | <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> | ||
| + | <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=6br5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6br5 OCA], [http://pdbe.org/6br5 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6br5 RCSB], [http://www.ebi.ac.uk/pdbsum/6br5 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6br5 ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Influenza virus infection continues to cause significant, often severe, respiratory illness worldwide. A validated target for development of anti-influenza agents is the viral surface protein sialidase. In the current study, we have discovered a highly potent inhibitor of influenza virus sialidase, based on a novel sialosyl sulfonate template. The synthesised 3-guanidino sialosyl alpha-sulfonate, a sulfonozanamivir analogue, inhibits virus replication in vitro at a nanomolar level, comparable to that of anti-influenza drug zanamivir. Using protein X-ray crystallography we show that the sialosyl alpha-sulfonate template orients within the sialidase active site in a (1)C(4) chair conformation. The C1-sulfonate moiety forms crucial and strong-binding interactions with the active site's triarginyl cluster, while the 3-guanidino moiety significantly interacts with conserved active site residues. This sulfonozanamivir analogue provides a new direction in anti-influenza virus drug development. | ||
| - | + | A Sulfonozanamivir Analogue has Potent Anti-influenza Virus Activity.,Hadhazi A, Li L, Bailly B, Maggioni A, Martin G, Dirr L, Dyason J, Thomson R, Gao G, Borbas A, Ve T, Pascolutti M, von Itzstein M ChemMedChem. 2018 Feb 17. doi: 10.1002/cmdc.201800092. PMID:29453852<ref>PMID:29453852</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | [[Category: | + | </div> |
| + | <div class="pdbe-citations 6br5" style="background-color:#fffaf0;"></div> | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Exo-alpha-sialidase]] | ||
| + | [[Category: Bailly, B]] | ||
| + | [[Category: Gao, G F]] | ||
| + | [[Category: Hadhazi, A]] | ||
| + | [[Category: Itzstein, M von]] | ||
| + | [[Category: Li, L H]] | ||
| + | [[Category: Pascolutti, M]] | ||
| + | [[Category: Thomson, R J]] | ||
| + | [[Category: Ve, T]] | ||
| + | [[Category: Complex]] | ||
| + | [[Category: Hydrolase]] | ||
| + | [[Category: Hydrolase-hydrolase inhibitor complex]] | ||
Revision as of 05:07, 8 March 2018
N2 neuraminidase in complex with a novel antiviral compound
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