4yw5
From Proteopedia
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- | ''' | + | ==Crystal Structure of Streptococcus pneumoniae NanC, complex with oseltamivir carboxylate== |
+ | <StructureSection load='4yw5' size='340' side='right' caption='[[4yw5]], [[Resolution|resolution]] 2.30Å' scene=''> | ||
+ | == Structural highlights == | ||
+ | <table><tr><td colspan='2'>[[4yw5]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4YW5 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4YW5 FirstGlance]. <br> | ||
+ | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=G39:(3R,4R,5S)-4-(ACETYLAMINO)-5-AMINO-3-(PENTAN-3-YLOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC+ACID'>G39</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4yw5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4yw5 OCA], [http://pdbe.org/4yw5 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4yw5 RCSB], [http://www.ebi.ac.uk/pdbsum/4yw5 PDBsum]</span></td></tr> | ||
+ | </table> | ||
+ | <div style="background-color:#fffaf0;"> | ||
+ | == Publication Abstract from PubMed == | ||
+ | Streptococcus pneumoniae is an important human pathogen that causes a range of disease states. Sialidases are important bacterial virulence factors. There are three pneumococcal sialidases: NanA, NanB, and NanC. NanC is an unusual sialidase in that its primary reaction product is 2-deoxy-2,3-didehydro-N-acetylneuraminic acid (Neu5Ac2en, also known as DANA), a nonspecific hydrolytic sialidase inhibitor. The production of Neu5Ac2en from alpha2-3-linked sialosides by the catalytic domain is confirmed within a crystal structure. A covalent complex with 3-fluoro-beta-N-acetylneuraminic acid is also presented, suggesting a common mechanism with other sialidases up to the final step of product formation. A conformation change in an active site hydrophobic loop on ligand binding constricts the entrance to the active site. In addition, the distance between the catalytic acid/base (Asp-315) and the ligand anomeric carbon is unusually short. These features facilitate a novel sialidase reaction in which the final step of product formation is direct abstraction of the C3 proton by the active site aspartic acid, forming Neu5Ac2en. NanC also possesses a carbohydrate-binding module, which is shown to bind alpha2-3- and alpha2-6-linked sialosides, as well as N-acetylneuraminic acid, which is captured in the crystal structure following hydration of Neu5Ac2en by NanC. Overall, the pneumococcal sialidases show remarkable mechanistic diversity while maintaining a common structural scaffold. | ||
- | + | Streptococcus pneumoniae NanC: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND MECHANISM OF A SIALIDASE THAT PRODUCES A SIALIDASE INHIBITOR.,Owen CD, Lukacik P, Potter JA, Sleator O, Taylor GL, Walsh MA J Biol Chem. 2015 Nov 13;290(46):27736-48. doi: 10.1074/jbc.M115.673632. Epub, 2015 Sep 14. PMID:26370075<ref>PMID:26370075</ref> | |
- | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
- | + | </div> | |
- | + | <div class="pdbe-citations 4yw5" style="background-color:#fffaf0;"></div> | |
- | [[Category: | + | == References == |
+ | <references/> | ||
+ | __TOC__ | ||
+ | </StructureSection> | ||
+ | [[Category: Exo-alpha-sialidase]] | ||
[[Category: Lukacik, P]] | [[Category: Lukacik, P]] | ||
- | [[Category: | + | [[Category: Owen, C D]] |
- | [[Category: | + | [[Category: Potter, J A]] |
- | [[Category: Taylor, G | + | [[Category: Taylor, G L]] |
[[Category: Walsh, M]] | [[Category: Walsh, M]] | ||
+ | [[Category: Cbm40]] | ||
+ | [[Category: Hydrolase]] | ||
+ | [[Category: Neuraminidase]] | ||
+ | [[Category: Oseltamivir]] | ||
+ | [[Category: Sialidase]] |
Revision as of 19:12, 30 November 2015
Crystal Structure of Streptococcus pneumoniae NanC, complex with oseltamivir carboxylate
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Categories: Exo-alpha-sialidase | Lukacik, P | Owen, C D | Potter, J A | Taylor, G L | Walsh, M | Cbm40 | Hydrolase | Neuraminidase | Oseltamivir | Sialidase