4a6s
From Proteopedia
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| - | + | ==Structure of the PAIL lectin from Pseudomonas aeruginosa in complex with 2-Naphtyl-1-thio-beta-D-galactopyranoside== | |
| - | + | <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 [http://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 [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4A6S FirstGlance]. <br> | |
| - | ==Function== | + | </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=GS9:NAPHTHALEN-2-YL+1-THIO-BETA-D-GALACTOPYRANOSIDE'>GS9</scene></td></tr> |
| + | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1uoj|1uoj]], [[1l7l|1l7l]], [[2vxj|2vxj]], [[1oko|1oko]], [[3zyh|3zyh]], [[2wyf|2wyf]], [[3zyb|3zyb]], [[3zyf|3zyf]]</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=4a6s FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4a6s OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4a6s RCSB], [http://www.ebi.ac.uk/pdbsum/4a6s PDBsum]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
[[http://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. | [[http://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. | ||
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| + | 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> | |
| - | == | + | ==See Also== |
| - | + | *[[Galactose-binding lectin|Galactose-binding lectin]] | |
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
[[Category: Pseudomonas aeruginosa pao1]] | [[Category: Pseudomonas aeruginosa pao1]] | ||
| - | [[Category: Blanchard, B | + | [[Category: Blanchard, B]] |
| - | [[Category: Chiao, T S | + | [[Category: Chiao, T S]] |
| - | [[Category: Ganne, G | + | [[Category: Ganne, G]] |
| - | [[Category: Giguere, D | + | [[Category: Giguere, D]] |
| - | [[Category: Imberty, A | + | [[Category: Imberty, A]] |
| - | [[Category: Rodrigue, J | + | [[Category: Rodrigue, J]] |
| - | [[Category: Roy, R | + | [[Category: Roy, R]] |
| - | [[Category: Saucier, C | + | [[Category: Saucier, C]] |
| - | [[Category: Varrot, A | + | [[Category: Varrot, A]] |
[[Category: Glycomimetic]] | [[Category: Glycomimetic]] | ||
[[Category: Sugar-binding protein]] | [[Category: Sugar-binding protein]] | ||
Revision as of 23:06, 24 December 2014
Structure of the PAIL lectin from Pseudomonas aeruginosa in complex with 2-Naphtyl-1-thio-beta-D-galactopyranoside
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