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4a6s
From Proteopedia
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| - | {{STRUCTURE_4a6s| PDB=4a6s | SCENE= }} | ||
| - | ===Structure of the PAIL lectin from Pseudomonas aeruginosa in complex with 2-Naphtyl-1-thio-beta-D-galactopyranoside=== | ||
| - | {{ABSTRACT_PUBMED_24057051}} | ||
| - | == | + | ==Structure of the PAIL lectin from Pseudomonas aeruginosa in complex with 2-Naphtyl-1-thio-beta-D-galactopyranoside== |
| - | [[http://www.uniprot.org/uniprot/PA1L_PSEAE PA1L_PSEAE | + | <StructureSection load='4a6s' size='340' side='right'caption='[[4a6s]], [[Resolution|resolution]] 2.15Å' scene=''> |
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[4a6s]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_aeruginosa_PAO1 Pseudomonas aeruginosa PAO1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4A6S OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4A6S FirstGlance]. <br> | ||
| + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.15Å</td></tr> | ||
| + | <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=GS9:NAPHTHALEN-2-YL+1-THIO-BETA-D-GALACTOPYRANOSIDE'>GS9</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=4a6s FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4a6s OCA], [https://pdbe.org/4a6s PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4a6s RCSB], [https://www.ebi.ac.uk/pdbsum/4a6s PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4a6s ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
| + | [https://www.uniprot.org/uniprot/PA1L_PSEAE PA1L_PSEAE] D-galactose specific lectin. Binds in decreasing order of affinity: melibiose, methyl-alpha-D-galactoside, D-galactose, methyl-beta-D-galactoside, N-acetyl-D-galactosamine. Similar to plant lectins in its selective (carbohydrate-specific) hemagglutinating activity. | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Three small families of hydrolytically stable thioaryl glycosides were prepared as inhibitors of the LecA (PA-IL) virulence factor corresponding to the carbohydrate binding lectin from the bacterial pathogen Pseudomonas aeruginosa. The monosaccharidic arylthio beta-d-galactopyranosides served as a common template for the major series that was also substituted at the O-3 position. Arylthio disaccharides from lactose and from melibiose constituted the other two series members. In spite of the fact that the natural ligand for LecA is a glycolipid of the globotriaosylceramide having an alpha-d-galactopyranoside epitope, this study illustrated that the beta-d-galactopyranoside configuration having a hydrophobic aglycon could override the requirement toward the anomeric configuration of the natural sugar. The enzyme linked lectin assay together with isothermal titration microcalorimetry established that naphthyl 1-thio-beta-d-galactopyranoside () gave the best inhibition with an IC50 twenty-three times better than that of the reference methyl alpha-d-galactopyranoside. In addition it showed a KD of 6.3 muM which was ten times better than that of the reference compound. The X-ray crystal structure of LecA with was also obtained. | ||
| - | + | Aromatic thioglycoside inhibitors against the virulence factor LecA from Pseudomonas aeruginosa.,Rodrigue J, Ganne G, Blanchard B, Saucier C, Giguere D, Shiao TC, Varrot A, Imberty A, Roy R Org Biomol Chem. 2013 Sep 25;11(40):6906-18. doi: 10.1039/c3ob41422a. PMID:24057051<ref>PMID:24057051</ref> | |
| - | + | ||
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | < | + | </div> |
| - | [[Category: Pseudomonas aeruginosa | + | <div class="pdbe-citations 4a6s" style="background-color:#fffaf0;"></div> |
| - | [[Category: Blanchard | + | |
| - | [[Category: Chiao | + | ==See Also== |
| - | [[Category: Ganne | + | *[[Galactose-binding lectin|Galactose-binding lectin]] |
| - | [[Category: Giguere | + | == References == |
| - | [[Category: Imberty | + | <references/> |
| - | [[Category: Rodrigue | + | __TOC__ |
| - | [[Category: Roy | + | </StructureSection> |
| - | [[Category: Saucier | + | [[Category: Large Structures]] |
| - | [[Category: Varrot | + | [[Category: Pseudomonas aeruginosa PAO1]] |
| - | + | [[Category: Blanchard B]] | |
| - | + | [[Category: Chiao TS]] | |
| + | [[Category: Ganne G]] | ||
| + | [[Category: Giguere D]] | ||
| + | [[Category: Imberty A]] | ||
| + | [[Category: Rodrigue J]] | ||
| + | [[Category: Roy R]] | ||
| + | [[Category: Saucier C]] | ||
| + | [[Category: Varrot A]] | ||
Current revision
Structure of the PAIL lectin from Pseudomonas aeruginosa in complex with 2-Naphtyl-1-thio-beta-D-galactopyranoside
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