title: Importance of oligomerisation on Pseudomonas aeruginosaLectin-II binding affinity. In silico and in vitro mutagenesis.
abstract: The effect of terminal GLY114* deletion on the binding affinity of the PA-IIL lectin toward L: -fucose was investigated. Both experimental (isothermal titration calorimetry) and computational (molecular dynamics simulations) methods have shown that the deletion mutation decreases the L-fucose affinity. It implies that the PA-IIL saccharide binding affinity is influenced by the dimerization of the lectin. A detailed analysis of computational data confirms the key role of electrostatic interactions in the PA-IIL/saccharide binding.
authors.affiliation: National Centre for Biomolecular Research, Masaryk University, Faculty Science, Kotlárská 2, 611 37 Brno, Czech Republic. michaw@chemi.muni.cz
authors.forename: Michaela
authors.initials: M
authors.lastname: Wimmerová
authors.forename: Navnit Kumar
authors.initials: NK
authors.lastname: Mishra
authors.forename: Martina
authors.initials: M
authors.lastname: Pokorná
authors.forename: Jaroslav
authors.initials: J
authors.lastname: Koca
mesh_terms: D018829:Adhesins, Bacterial / Q000737:chemistry* / Q000235:genetics / Q000378:metabolism; D001667:Binding, Competitive; D002151:Calorimetry / Q000379:methods; D003198:Computer Simulation; D003460:Crystallization; D004926:Escherichia coli / Q000235:genetics; D005643:Fucose / Q000737:chemistry* / Q000378:metabolism; D007700:Kinetics; D037102:Lectins / Q000737:chemistry* / Q000235:genetics / Q000378:metabolism; D008958:Models, Molecular; D009154:Mutation; D011485:Protein Binding; D055503:Protein Multimerization; D020836:Protein Structure, Quaternary; D017434:Protein Structure, Tertiary; D011550:Pseudomonas aeruginosa / Q000235:genetics / Q000378:metabolism; D011994:Recombinant Proteins / Q000737:chemistry / Q000378:metabolism; D017384:Sequence Deletion; D013816:Thermodynamics
chemical_list: D018829:Adhesins, Bacterial; D037102:Lectins; D011994:Recombinant Proteins; C038692:adhesin, Pseudomonas; D005643:Fucose