02449nas a2200265   4500008004100000022001400041245010100055210006900156260000800225300001000233490000700243520157500250653001701825653001201842653001901854653001901873653003301892653002401925100001701949700002001966700002601986700002002012700002102032856013002053       2016                        eng d  a0141-813000aStructural-functional insights and studies on saccharide binding of Sophora japonica seed lectin0 aStructuralfunctional insights and studies on saccharide binding   cOCT  a75-840 v913 a<p>Functional and conformational transitions of the Sophora japonica seed lectin (SJL) were studied in detail using bioinformatics and biophysical tools. Homology model of the lectin displayed all the characteristics of the legume lectin monomer and the experimental observations correlated well with the structural information. In silico studies were performed by protein-ligand docking, calculating the respective binding energies and the residues involved in the interactions were derived from LigPlot(+) analysis. Fluorescence titrations showed three times higher affinity of T-antigen disaccharide than N-acetyl galactosamine (GaINAc) towards SJL indicating extended sugar binding site of the lectin. Thermodynamic parameters of T-antigen binding to SJL indicated the process to be endothermic and entropically driven while those of GaINAc showed biphasic process. SDS-PAGE showed post-translationally modified homotetrameric species of the lectin under native conditions. In presence of guanidine hydrochloride (0.5-5.0 M), the tetramer first dissociated into dimers followed by unfolding of the protein as indicated by size exclusion chromatography, fluorescence and CD spectroscopy. Different structural rearrangements were observed during thermal denaturation of SJL at physiological pH 7.2, native pH 8.5 and molten globule inducing pH 1.0. Topological information revealed by solute quenching studies at respective pH indicated differential hydrophobic environment and charge density around tryptophan residues. (C) 2016 Elsevier B.V. All rights reserved.</p>10aDissociation10adocking10aHomology model10aLigand binding10aSophora japonica seed lectin10aThermal transitions1 aYadav, Priya1 aShahane, Ganesh1 aRamasamy, Sureshkumar1 aSengupta, Durba1 aGaikwad, Sushama  uhttps://library.ncl.res.in/content/structural-functional-insights-and-studies-saccharide-binding-sophora-japonica-seed-lectin