5tsp: Difference between revisions
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==Crystal structure of the catalytic domain of Clostridium perfringens neuraminidase (NanI) in complex with a CHES== | ==Crystal structure of the catalytic domain of Clostridium perfringens neuraminidase (NanI) in complex with a CHES== | ||
<StructureSection load='5tsp' size='340' side='right' caption='[[5tsp]], [[Resolution|resolution]] 1.24Å' scene=''> | <StructureSection load='5tsp' size='340' side='right'caption='[[5tsp]], [[Resolution|resolution]] 1.24Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[5tsp]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5TSP OCA]. For a <b>guided tour on the structure components</b> use [ | <table><tr><td colspan='2'>[[5tsp]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Clostridium_perfringens_ATCC_13124 Clostridium perfringens ATCC 13124]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5TSP OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5TSP FirstGlance]. <br> | ||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=NHE:2-[N-CYCLOHEXYLAMINO]ETHANE+SULFONIC+ACID'>NHE</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]] 1.24Å</td></tr> | ||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[ | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=NHE:2-[N-CYCLOHEXYLAMINO]ETHANE+SULFONIC+ACID'>NHE</scene></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=5tsp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5tsp OCA], [https://pdbe.org/5tsp PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5tsp RCSB], [https://www.ebi.ac.uk/pdbsum/5tsp PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5tsp ProSAT]</span></td></tr> | |||
</table> | </table> | ||
== Function == | |||
[https://www.uniprot.org/uniprot/A0A0H2YQR1_CLOP1 A0A0H2YQR1_CLOP1] | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
Anti-bacterial and anti-viral neuraminidase agents inhibit neuraminidase activity catalyzing the hydrolysis of terminal N-acetylneuraminic acid (Neu5Ac) from glycoconjugates and help to prevent the host pathogenesis that lead to fatal infectious diseases including influenza, bacteremia, sepsis, and cholera. Emerging antibiotic and drug resistances to commonly used anti-neuraminidase agents such as oseltamivir (Tamiflu) and zanamivir (Relenza) have highlighted the need to develop new anti-neuraminidase drugs. We obtained a serendipitous complex crystal of the catalytic domain of Clostridium perfringens neuraminidase (CpNanICD) with 2-(cyclohexylamino)ethanesulfonic acid (CHES) as a buffer. Here, we report the crystal structure of CpNanICD in complex with CHES at 1.24 A resolution. Amphipathic CHES binds to the catalytic site of CpNanICD similar to the substrate (Neu5Ac) binding site. The 2-aminoethanesulfonic acid moiety and cyclohexyl groups of CHES interact with the cluster of three arginine residues and with the hydrophobic pocket of the CpNanICD catalytic site. In addition, a structural comparison with other bacterial and human neuraminidases suggests that CHES could serve as a scaffold for the development of new anti-neuraminidase agents targeting CpNanI. | |||
Crystal structure of the catalytic domain of Clostridium perfringens neuraminidase in complex with a non-carbohydrate-based inhibitor, 2-(cyclohexylamino)ethanesulfonic acid.,Lee Y, Youn HS, Lee JG, An JY, Park KR, Kang JY, Ryu YB, Jin MS, Park KH, Eom SH Biochem Biophys Res Commun. 2017 Apr 29;486(2):470-475. doi:, 10.1016/j.bbrc.2017.03.064. Epub 2017 Mar 16. PMID:28315686<ref>PMID:28315686</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
<div class="pdbe-citations 5tsp" style="background-color:#fffaf0;"></div> | |||
==See Also== | |||
*[[Neuraminidase 3D structures|Neuraminidase 3D structures]] | |||
== References == | |||
<references/> | |||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: An | [[Category: Clostridium perfringens ATCC 13124]] | ||
[[Category: Eom | [[Category: Large Structures]] | ||
[[Category: Jin | [[Category: An JY]] | ||
[[Category: Kang | [[Category: Eom SH]] | ||
[[Category: Lee | [[Category: Jin MS]] | ||
[[Category: Lee | [[Category: Kang JY]] | ||
[[Category: Park | [[Category: Lee J-G]] | ||
[[Category: Park | [[Category: Lee Y]] | ||
[[Category: Ryu | [[Category: Park KH]] | ||
[[Category: Youn | [[Category: Park KR]] | ||
[[Category: Ryu YB]] | |||
[[Category: Youn H-S]] | |||
Latest revision as of 16:50, 8 November 2023
Crystal structure of the catalytic domain of Clostridium perfringens neuraminidase (NanI) in complex with a CHES
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