5kv9
From Proteopedia
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| - | '''Unreleased structure''' | ||
| - | + | ==Crystal structure of a hPIV haemagglutinin-neuraminidase-inhibitor complex== | |
| + | <StructureSection load='5kv9' size='340' side='right'caption='[[5kv9]], [[Resolution|resolution]] 2.00Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[5kv9]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Human_respirovirus_3 Human respirovirus 3]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5KV9 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5KV9 FirstGlance]. <br> | ||
| + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=I57:(2~{R},3~{R},4~{S})-3-(2-methylpropanoylamino)-4-(4-phenyl-1,2,3-triazol-1-yl)-2-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)pro+pyl]-3,4-dihydro-2~{H}-pyran-6-carboxylic+acid'>I57</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene></td></tr> | ||
| + | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=5kv9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5kv9 OCA], [https://pdbe.org/5kv9 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5kv9 RCSB], [https://www.ebi.ac.uk/pdbsum/5kv9 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5kv9 ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
| + | [https://www.uniprot.org/uniprot/G8G134_9MONO G8G134_9MONO] | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Human parainfluenza viruses represent a leading cause of lower respiratory tract disease in children, with currently no available approved drug or vaccine. The viral surface glycoprotein haemagglutinin-neuraminidase (HN) represents an ideal antiviral target. Herein, we describe the first structure-based study on the rearrangement of key active site amino acid residues by an induced opening of the 216-loop, through the accommodation of appropriately functionalised neuraminic acid-based inhibitors. We discovered that the rearrangement is influenced by the degree of loop opening and is controlled by the neuraminic acid's C-4 substituent's size (large or small). In this study, we found that these rearrangements induce a butterfly effect of paramount importance in HN inhibitor design and define criteria for the ideal substituent size in two different categories of HN inhibitors and provide novel structural insight into the druggable viral HN protein. | ||
| - | + | The impact of the butterfly effect on human parainfluenza virus haemagglutinin-neuraminidase inhibitor design.,Dirr L, El-Deeb IM, Chavas LMG, Guillon P, Itzstein MV Sci Rep. 2017 Jul 3;7(1):4507. doi: 10.1038/s41598-017-04656-y. PMID:28674426<ref>PMID:28674426</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | [[Category: | + | </div> |
| + | <div class="pdbe-citations 5kv9" style="background-color:#fffaf0;"></div> | ||
| + | |||
| + | ==See Also== | ||
| + | *[[Hemagglutinin 3D structures|Hemagglutinin 3D structures]] | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Human respirovirus 3]] | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Chavas LMG]] | ||
| + | [[Category: Dirr L]] | ||
| + | [[Category: El-Deeb IM]] | ||
| + | [[Category: Guillon P]] | ||
| + | [[Category: Von Itzstein M]] | ||
Current revision
Crystal structure of a hPIV haemagglutinin-neuraminidase-inhibitor complex
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