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4fpe

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==Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-[(4-Methoxybenzyl)ammonio]ethanesulfonate==
==Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-[(4-Methoxybenzyl)ammonio]ethanesulfonate==
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<StructureSection load='4fpe' size='340' side='right' caption='[[4fpe]], [[Resolution|resolution]] 2.18&Aring;' scene=''>
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<StructureSection load='4fpe' size='340' side='right'caption='[[4fpe]], [[Resolution|resolution]] 2.18&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4fpe]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/"diplococcus_pneumoniae"_(klein_1884)_weichselbaum_1886 "diplococcus pneumoniae" (klein 1884) weichselbaum 1886]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4FPE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4FPE FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4fpe]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptococcus_pneumoniae Streptococcus pneumoniae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4FPE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4FPE FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0H9:2-[(4-METHOXYBENZYL)AMINO]ETHANESULFONIC+ACID'>0H9</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene></td></tr>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.181&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2vw0|2vw0]], [[2vw1|2vw1]], [[2vw2|2vw2]], [[4foq|4foq]], [[4fov|4fov]], [[4fow|4fow]], [[4foy|4foy]], [[4fp2|4fp2]], [[4fp3|4fp3]], [[4fpc|4fpc]], [[4fpf|4fpf]], [[4fpg|4fpg]], [[4fph|4fph]], [[4fpj|4fpj]], [[4fpk|4fpk]], [[4fpl|4fpl]], [[4fpo|4fpo]], [[4fpy|4fpy]], [[4fq4|4fq4]]</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=0H9:2-[(4-METHOXYBENZYL)AMINO]ETHANESULFONIC+ACID'>0H9</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene></td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">nanB, SP_1687 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1313 "Diplococcus pneumoniae" (Klein 1884) Weichselbaum 1886])</td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4fpe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4fpe OCA], [https://pdbe.org/4fpe PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4fpe RCSB], [https://www.ebi.ac.uk/pdbsum/4fpe PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4fpe ProSAT]</span></td></tr>
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<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>
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<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=4fpe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4fpe OCA], [http://pdbe.org/4fpe PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4fpe RCSB], [http://www.ebi.ac.uk/pdbsum/4fpe PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4fpe ProSAT]</span></td></tr>
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</table>
</table>
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<div style="background-color:#fffaf0;">
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== Function ==
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== Publication Abstract from PubMed ==
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[https://www.uniprot.org/uniprot/NANB_STRPN NANB_STRPN]
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The major human pathogen Streptococcus pneumoniae plays a key role in several disease states including septicaemia, meningitis and community-acquired pneumonia. Although vaccines against S. pneumoniae are available as prophylactics, there remains a need to identify and characterise novel chemical entities that can treat the diseases caused by this pathogen. S. pneumoniae expresses three sialidases, enzymes that cleave sialic acid from carbohydrate-based surface molecules. Two of these enzymes, NanA and NanB, have been implicated in the pathogenesis of S. pneumoniae and are considered to be validated drug targets. Here we report our studies on the synthesis and structural characterisation of novel NanB-selective inhibitors that are inspired by the beta-amino-sulfonic acid family of buffers.
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Synthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidases.,Brear P, Telford J, Taylor GL, Westwood NJ Chembiochem. 2012 Nov 5;13(16):2374-83. doi: 10.1002/cbic.201200433. Epub 2012, Oct 15. PMID:23070966<ref>PMID:23070966</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 4fpe" style="background-color:#fffaf0;"></div>
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==See Also==
==See Also==
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*[[Neuraminidase|Neuraminidase]]
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*[[Neuraminidase 3D structures|Neuraminidase 3D structures]]
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Exo-alpha-sialidase]]
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[[Category: Large Structures]]
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[[Category: Brear, P]]
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[[Category: Streptococcus pneumoniae]]
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[[Category: Drug design]]
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[[Category: Brear P]]
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[[Category: Glycosidase]]
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[[Category: Hydrolase]]
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[[Category: Hydrolase-inhibitor complex]]
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[[Category: Intramolecular trans-sialidase]]
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[[Category: Neuraminidase]]
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Current revision

Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-[(4-Methoxybenzyl)ammonio]ethanesulfonate

PDB ID 4fpe

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