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4gb1
From Proteopedia
(Difference between revisions)
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| - | [[ | + | ==Synthesis and Evaluation of Novel 3-C-alkylated-Neu5Ac2en Derivatives as Probes of Influenza Virus Sialidase 150-loop flexibility== |
| + | <StructureSection load='4gb1' size='340' side='right' caption='[[4gb1]], [[Resolution|resolution]] 2.62Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[4gb1]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Influenza_a_virus_(a/duck/ukraine/1/1963(h3n8)) Influenza a virus (a/duck/ukraine/1/1963(h3n8))]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GB1 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4GB1 FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0LP:5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-DIDEOXY-3-[(2E)-3-PHENYLPROP-2-EN-1-YL]-D-GLYCERO-L-ALTRO-NON-2-ENONIC+ACID'>0LP</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</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=4gb1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gb1 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4gb1 RCSB], [http://www.ebi.ac.uk/pdbsum/4gb1 PDBsum]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Novel 3-C-alkylated-Neu5Ac2en derivatives have been designed to target the expanded active site cavity of influenza virus sialidases with an open 150-loop, currently seen in X-ray crystal structures of influenza A virus group-1 (N1, N4, N5, N8), but not group-2 (N2, N9), sialidases. The compounds show selectivity for inhibition of H5N1 and pdm09 H1N1 sialidases over an N2 sialidase, providing evidence of the relative 150-loop flexibility of these sialidases. In a complex with N8 sialidase, the C3 substituent of 3-phenylally-Neu5Ac2en occupies the 150-cavity while the central ring and the remaining substituents bind the active site as seen for the unsubstituted template. This new class of inhibitors, which can 'trap' the open 150-loop form of the sialidase, should prove useful as probes of 150-loop flexibility. | ||
| - | + | Synthesis and evaluation of novel 3-C-alkylated-Neu5Ac2en derivatives as probes of influenza virus sialidase 150-loop flexibility.,Rudrawar S, Kerry PS, Rameix-Welti MA, Maggioni A, Dyason JC, Rose FJ, van der Werf S, Thomson RJ, Naffakh N, Russell RJ, von Itzstein M Org Biomol Chem. 2012 Sep 14. PMID:22976385<ref>PMID:22976385</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| + | </div> | ||
| - | + | ==See Also== | |
| - | + | *[[Neuraminidase|Neuraminidase]] | |
| - | == | + | == References == |
| - | [[ | + | <references/> |
| + | __TOC__ | ||
| + | </StructureSection> | ||
[[Category: Exo-alpha-sialidase]] | [[Category: Exo-alpha-sialidase]] | ||
| - | [[Category: Dyason, J C | + | [[Category: Dyason, J C]] |
| - | [[Category: Itzstein, M von | + | [[Category: Itzstein, M von]] |
| - | [[Category: Kerry, P S | + | [[Category: Kerry, P S]] |
| - | [[Category: Maggioni, A | + | [[Category: Maggioni, A]] |
| - | [[Category: Naffakh, N | + | [[Category: Naffakh, N]] |
| - | [[Category: Rameix-Welti, M-A | + | [[Category: Rameix-Welti, M-A]] |
| - | [[Category: Rose, F J | + | [[Category: Rose, F J]] |
| - | [[Category: Rudrawar, S | + | [[Category: Rudrawar, S]] |
| - | [[Category: Russell, R J.M | + | [[Category: Russell, R J.M]] |
| - | [[Category: Thomson, R J | + | [[Category: Thomson, R J]] |
| - | [[Category: Werf, S van der | + | [[Category: Werf, S van der]] |
[[Category: Enzyme]] | [[Category: Enzyme]] | ||
[[Category: Glycosylation]] | [[Category: Glycosylation]] | ||
[[Category: Hydrolase]] | [[Category: Hydrolase]] | ||
[[Category: Vial protein]] | [[Category: Vial protein]] | ||
Revision as of 09:52, 10 December 2014
Synthesis and Evaluation of Novel 3-C-alkylated-Neu5Ac2en Derivatives as Probes of Influenza Virus Sialidase 150-loop flexibility
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