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==Crystal Structure of the Human Sialidase Neu2 Q116E Mutant in Complex with DANA Inhibitor==
==Crystal Structure of the Human Sialidase Neu2 Q116E Mutant in Complex with DANA Inhibitor==
<StructureSection load='2f29' size='340' side='right' caption='[[2f29]], [[Resolution|resolution]] 2.92&Aring;' scene=''>
<StructureSection load='2f29' size='340' side='right'caption='[[2f29]], [[Resolution|resolution]] 2.92&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[2f29]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2F29 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2F29 FirstGlance]. <br>
<table><tr><td colspan='2'>[[2f29]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2F29 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2F29 FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=DAN:2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC+ACID'>DAN</scene>, <scene name='pdbligand=EPE:4-(2-HYDROXYETHYL)-1-PIPERAZINE+ETHANESULFONIC+ACID'>EPE</scene></td></tr>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.921&#8491;</td></tr>
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1snt|1snt]], [[1so7|1so7]], [[1vcu|1vcu]], [[2f0z|2f0z]], [[2f10|2f10]], [[2f11|2f11]], [[2f12|2f12]], [[2f13|2f13]], [[2f24|2f24]], [[2f25|2f25]], [[2f26|2f26]], [[2f27|2f27]], [[2f28|2f28]]</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DAN:2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC+ACID'>DAN</scene>, <scene name='pdbligand=EPE:4-(2-HYDROXYETHYL)-1-PIPERAZINE+ETHANESULFONIC+ACID'>EPE</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'>[https://proteopedia.org/fgij/fg.htm?mol=2f29 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2f29 OCA], [https://pdbe.org/2f29 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2f29 RCSB], [https://www.ebi.ac.uk/pdbsum/2f29 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2f29 ProSAT]</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=2f29 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2f29 OCA], [http://pdbe.org/2f29 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2f29 RCSB], [http://www.ebi.ac.uk/pdbsum/2f29 PDBsum]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
[[http://www.uniprot.org/uniprot/NEUR2_HUMAN NEUR2_HUMAN]] Hydrolyzes sialylated compounds.  
[https://www.uniprot.org/uniprot/NEUR2_HUMAN NEUR2_HUMAN] Hydrolyzes sialylated compounds.
== Evolutionary Conservation ==
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
[[Image:Consurf_key_small.gif|200px|right]]
Check<jmol>
Check<jmol>
   <jmolCheckbox>
   <jmolCheckbox>
     <scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/f2/2f29_consurf.spt"</scriptWhenChecked>
     <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/f2/2f29_consurf.spt"</scriptWhenChecked>
     <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
     <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
     <text>to colour the structure by Evolutionary Conservation</text>
     <text>to colour the structure by Evolutionary Conservation</text>
   </jmolCheckbox>
   </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/chain_selection.php?pdb_ID=2ata ConSurf].
</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=2f29 ConSurf].
<div style="clear:both"></div>
<div style="clear:both"></div>


==See Also==
==See Also==
*[[Neuraminidase|Neuraminidase]]
*[[Neuraminidase 3D structures|Neuraminidase 3D structures]]
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Exo-alpha-sialidase]]
[[Category: Homo sapiens]]
[[Category: Human]]
[[Category: Large Structures]]
[[Category: Chavas, L M.G]]
[[Category: Chavas LMG]]
[[Category: Fusi, P]]
[[Category: Fusi P]]
[[Category: Kato, R]]
[[Category: Kato R]]
[[Category: Monti, E]]
[[Category: Monti E]]
[[Category: Tettamanti, G]]
[[Category: Tettamanti G]]
[[Category: Tringali, C]]
[[Category: Tringali C]]
[[Category: Venerando, B]]
[[Category: Venerando B]]
[[Category: Wakatsuki, S]]
[[Category: Wakatsuki S]]
[[Category: Drug design]]
[[Category: Ganglioside]]
[[Category: Hydrolase]]
[[Category: Neuraminidase]]
[[Category: Sialidase]]

Latest revision as of 08:44, 25 October 2023

Crystal Structure of the Human Sialidase Neu2 Q116E Mutant in Complex with DANA Inhibitor

2f29, resolution 2.92Å

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