4a6s

Structure of the PAIL lectin from Pseudomonas aeruginosa in complex with 2-Naphtyl-1-thio-beta-D-galactopyranoside

spinqualitylabelsall models 4a6s, resolution 2.15Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4a6s is a 4 chain structure with sequence from Pseudomonas aeruginosa PAO1. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 2.15Å Ligands: CA, GS9 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function 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. 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 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Galactose-binding lectin

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