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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==
===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]] 2.15&Aring;' scene=''>
{{ABSTRACT_PUBMED_24057051}}
== 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>
</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.
<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.


==Function==
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>
[[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.  


==About this Structure==
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
[[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].
</div>


==Reference==
==See Also==
<ref group="xtra">PMID:024057051</ref><references group="xtra"/><references/>
*[[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]]
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