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==Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-[(3-Bromobenzyl)ammonio]ethanesulfonate==
==Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-[(3-Bromobenzyl)ammonio]ethanesulfonate==
<StructureSection load='4fpy' size='340' side='right' caption='[[4fpy]], [[Resolution|resolution]] 2.18&Aring;' scene=''>
<StructureSection load='4fpy' size='340' side='right'caption='[[4fpy]], [[Resolution|resolution]] 2.18&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[4fpy]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Streptococcus_pneumoniae Streptococcus pneumoniae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4FPY OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4FPY FirstGlance]. <br>
<table><tr><td colspan='2'>[[4fpy]] 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=4FPY OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4FPY FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0V8:2-[(3-BROMOBENZYL)AMINO]ETHANESULFONIC+ACID'>0V8</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</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]] 2.18&#8491;</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]], [[4fpc|4fpc]], [[4fpe|4fpe]], [[4fpf|4fpf]], [[4fpg|4fpg]], [[4fph|4fph]], [[4fpj|4fpj]], [[4fpk|4fpk]], [[4fpl|4fpl]], [[4fpo|4fpo]], [[4fq4|4fq4]]</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=0V8:2-[(3-BROMOBENZYL)AMINO]ETHANESULFONIC+ACID'>0V8</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene></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 Streptococcus pneumoniae])</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=4fpy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4fpy OCA], [https://pdbe.org/4fpy PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4fpy RCSB], [https://www.ebi.ac.uk/pdbsum/4fpy PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4fpy ProSAT]</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=4fpy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4fpy OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4fpy RCSB], [http://www.ebi.ac.uk/pdbsum/4fpy PDBsum]</span></td></tr>
</table>
</table>
<div style="background-color:#fffaf0;">
== Function ==
== Publication Abstract from PubMed ==
[https://www.uniprot.org/uniprot/NANB_STRPN NANB_STRPN]
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.
 
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>
 
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>


==See Also==
==See Also==
*[[Neuraminidase|Neuraminidase]]
*[[Neuraminidase 3D structures|Neuraminidase 3D structures]]
== References ==
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Exo-alpha-sialidase]]
[[Category: Large Structures]]
[[Category: Streptococcus pneumoniae]]
[[Category: Streptococcus pneumoniae]]
[[Category: Brear, P]]
[[Category: Brear P]]
[[Category: Drug design]]
[[Category: Glycosidase]]
[[Category: Hydrolase]]
[[Category: Hydrolase-inhibitor complex]]
[[Category: Intramolecular trans-sialidase]]
[[Category: Neuraminidase]]

Latest revision as of 14:22, 1 March 2024

Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-[(3-Bromobenzyl)ammonio]ethanesulfonateCrystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-[(3-Bromobenzyl)ammonio]ethanesulfonate

Structural highlights

4fpy is a 1 chain structure with sequence from Streptococcus pneumoniae. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 2.18Å
Ligands:,
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

NANB_STRPN

See Also

4fpy, resolution 2.18Å

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