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==Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-[(4-Chlorobenzyl)ammonio]ethanesulfonate== | ==Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-[(4-Chlorobenzyl)ammonio]ethanesulfonate== | ||
<StructureSection load='4fpc' size='340' side='right' caption='[[4fpc]], [[Resolution|resolution]] 2.32Å' scene=''> | <StructureSection load='4fpc' size='340' side='right' caption='[[4fpc]], [[Resolution|resolution]] 2.32Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[4fpc]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/ | <table><tr><td colspan='2'>[[4fpc]] 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=4FPC OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4FPC FirstGlance]. <br> | ||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=MFY:2-[(4-CHLOROBENZYL)AMINO]ETHANESULFONIC+ACID'>MFY</scene></td></tr> | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=MFY:2-[(4-CHLOROBENZYL)AMINO]ETHANESULFONIC+ACID'>MFY</scene></td></tr> | ||
<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]], [[4fpe|4fpe]], [[4fpf|4fpf]], [[4fpg|4fpg]], [[4fph|4fph]], [[4fpj|4fpj]], [[4fpk|4fpk]], [[4fpl|4fpl]], [[4fpo|4fpo]], [[4fpy|4fpy]], [[4fq4|4fq4]]</td></tr> | <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]], [[4fpe|4fpe]], [[4fpf|4fpf]], [[4fpg|4fpg]], [[4fph|4fph]], [[4fpj|4fpj]], [[4fpk|4fpk]], [[4fpl|4fpl]], [[4fpo|4fpo]], [[4fpy|4fpy]], [[4fq4|4fq4]]</td></tr> | ||
<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 | <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> | ||
<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='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=4fpc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4fpc OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4fpc RCSB], [http://www.ebi.ac.uk/pdbsum/4fpc PDBsum]</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=4fpc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4fpc OCA], [http://pdbe.org/4fpc PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4fpc RCSB], [http://www.ebi.ac.uk/pdbsum/4fpc PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4fpc ProSAT]</span></td></tr> | ||
</table> | </table> | ||
<div style="background-color:#fffaf0;"> | <div style="background-color:#fffaf0;"> | ||
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
</div> | </div> | ||
<div class="pdbe-citations 4fpc" style="background-color:#fffaf0;"></div> | |||
==See Also== | ==See Also== | ||
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</StructureSection> | </StructureSection> | ||
[[Category: Exo-alpha-sialidase]] | [[Category: Exo-alpha-sialidase]] | ||
[[Category: Brear, P]] | [[Category: Brear, P]] | ||
[[Category: Drug design]] | [[Category: Drug design]] | ||
Revision as of 23:06, 15 December 2016
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-[(4-Chlorobenzyl)ammonio]ethanesulfonateCrystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-[(4-Chlorobenzyl)ammonio]ethanesulfonate
Structural highlights
Publication Abstract from PubMedThe 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. 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[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
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