In silico mutagenesis and docking study of RSL lectin

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Title in English	In silico mutagenesis and docking study of RSL lectin, Material Structure in Chemistry, Biology, Physics and Technology vol. 17, no 1a, 2010, page-b45. 2010
Authors	MISHRA Sushil Kumar ADAM Jan WIMMEROVÁ Michaela ABAGYAN Ruben A. KOČA Jaroslav
Year of publication	2010
Type	Conference abstract
MU Faculty or unit	Faculty of Science
Citation
Description	The gram-negative bacterium Ralstonia solanacearum produces a potent L-fucose binding lectin (RSL). This work is focused on in silico mutagenesis, docking of fucose and fucosylated oligosaccharides in RSL lectin. Binding energy pattern of various saccharides was investigated by a series of docking simulations. Docking experiments were performed using the software AutoDock 3, AutoDock Vina, DOCK v.6.2 and ICM Dock. Performance of various docking programs will be discussed with respect to binding energy of those saccharides measured from SPR experiment.
Related projects:	Proteins in metabolism and interaction of organisms with the environment Biomolecular centre Design of Carbohydrates and Glycomimetics as Antibacterial and Antiviral Drugs