1xoe: Difference between revisions

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[[Image:1xoe.png|left|200px]]


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==N9 Tern influenza neuraminidase complexed with (2R,4R,5R)-5-(1-Acetylamino-3-methyl-butyl-pyrrolidine-2, 4-dicarobyxylic acid 4-methyl esterdase complexed with==
The line below this paragraph, containing "STRUCTURE_1xoe", creates the "Structure Box" on the page.
<StructureSection load='1xoe' size='340' side='right'caption='[[1xoe]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
You may change the PDB parameter (which sets the PDB file loaded into the applet)
== Structural highlights ==
or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
<table><tr><td colspan='2'>[[1xoe]] is a 1 chain structure with sequence from [https://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=1XOE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1XOE FirstGlance]. <br>
or leave the SCENE parameter empty for the default display.
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.2&#8491;</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=ABX:5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-4-(METHOXYCARBONYL)PROLINE'>ABX</scene>, <scene name='pdbligand=BMA:BETA-D-MANNOSE'>BMA</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene></td></tr>
{{STRUCTURE_1xoe| PDB=1xoe |  SCENE= }}
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1xoe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1xoe OCA], [https://pdbe.org/1xoe PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1xoe RCSB], [https://www.ebi.ac.uk/pdbsum/1xoe PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1xoe ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/NRAM_I75A5 NRAM_I75A5] Catalyzes the removal of terminal sialic acid residues from viral and cellular glycoconjugates. Cleaves off the terminal sialic acids on the glycosylated HA during virus budding to facilitate virus release. Additionally helps virus spread through the circulation by further removing sialic acids from the cell surface. These cleavages prevent self-aggregation and ensure the efficient spread of the progeny virus from cell to cell. Otherwise, infection would be limited to one round of replication. Described as a receptor-destroying enzyme because it cleaves a terminal sialic acid from the cellular receptors. May facilitate viral invasion of the upper airways by cleaving the sialic acid moities on the mucin of the airway epithelial cells. Likely to plays a role in the budding process through its association with lipid rafts during intracellular transport. May additionally display a raft-association independent effect on budding. Plays a role in the determination of host range restriction on replication and virulence. Sialidase activity in late endosome/lysosome traffic seems to enhance virus replication.
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
Check<jmol>
  <jmolCheckbox>
    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/xo/1xoe_consurf.spt"</scriptWhenChecked>
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked>
    <text>to colour the structure by Evolutionary Conservation</text>
  </jmolCheckbox>
</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1xoe ConSurf].
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== Publication Abstract from PubMed ==
(+/-)-(2R,3R,5R)-[2-(1'-S-acetamido-3'-methyl)butyl-3-methoxycarbonyl]tetr ahydrofuran-5-carboxylic acid (9) and (+/-)-(2R,3R,5R)-[2-(1'-S-acetamido-3'-methyl)butyl-3-(4'-imidazolyl)]tetr ahydrofuran 5-carboxylic acid (14) were synthesized as inhibitors of influenza neuraminidase (NA). Both compounds 9 and 14 inhibit influenza NA A with an IC(50) of about 0.5 microM and NA B with an IC(50) of 1.0 microM.


===N9 Tern influenza neuraminidase complexed with (2R,4R,5R)-5-(1-Acetylamino-3-methyl-butyl-pyrrolidine-2, 4-dicarobyxylic acid 4-methyl esterdase complexed with===
Design, synthesis, and structural analysis of inhibitors of influenza neuraminidase containing a 2,3-disubstituted tetrahydrofuran-5-carboxylic acid core.,Wang GT, Wang S, Gentles R, Sowin T, Maring CJ, Kempf DJ, Kati WM, Stoll V, Stewart KD, Laver G Bioorg Med Chem Lett. 2005 Jan 3;15(1):125-8. PMID:15582424<ref>PMID:15582424</ref>


From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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<div class="pdbe-citations 1xoe" style="background-color:#fffaf0;"></div>


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==See Also==
The line below this paragraph, {{ABSTRACT_PUBMED_15582424}}, adds the Publication Abstract to the page
*[[Neuraminidase 3D structures|Neuraminidase 3D structures]]
(as it appears on PubMed at http://www.pubmed.gov), where 15582424 is the PubMed ID number.
== References ==
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<references/>
{{ABSTRACT_PUBMED_15582424}}
__TOC__
 
</StructureSection>
==About this Structure==
[[Category: Influenza A virus]]
1XOE is a 1 chain structure of 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=1XOE OCA].
[[Category: Large Structures]]
 
[[Category: Gentles R]]
==Reference==
[[Category: Kati WM]]
<ref group="xtra">PMID:15582424</ref><references group="xtra"/>
[[Category: Kempf DJ]]
[[Category: Exo-alpha-sialidase]]
[[Category: Laver G]]
[[Category: Influenza a virus]]
[[Category: Maring CJ]]
[[Category: Gentles, R.]]
[[Category: Sowin T]]
[[Category: Kati, W M.]]
[[Category: Stewart KD]]
[[Category: Kempf, D J.]]
[[Category: Stoll V]]
[[Category: Laver, G.]]
[[Category: Wang GT]]
[[Category: Maring, C J.]]
[[Category: Wang S]]
[[Category: Sowin, T.]]
[[Category: Stewart, K D.]]
[[Category: Stoll, V.]]
[[Category: Wang, G T.]]
[[Category: Wang, S.]]
[[Category: Influenza]]
[[Category: Neuraminidase]]
[[Category: Pyrrolidine inhibitor]]
 
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