title: Localization of the binding site for the oligosaccharide moiety of Gb3 on verotoxin 1 using NMR residual dipolar coupling measurements.
abstract: By use of NMR residual dipolar coupling measurements in a dilute liquid-crystalline solvent, the solution structure has been determined of the complex between the oligosaccharide moiety of globotriaosylceramide (Gb(3)-OS) and the B-subunit homopentamer of verotoxin 1 (VTB). The dipolar coupling data indicate that Gb(3)-OS binds in a single binding site per monomer, which is identical to one of three sites inferred from the X-ray structure of the same complex. We find no evidence within experimental error for occupancy at either of the two additional binding sites observed per monomer in the crystal structure.
authors.affiliation: School of Biochemistry and Molecular Biology, University of Leeds, LS2 9JT, U.K.
authors.forename: G S
authors.initials: GS
authors.lastname: Thompson
authors.forename: H
authors.initials: H
authors.lastname: Shimizu
authors.forename: S W
authors.initials: SW
authors.lastname: Homans
authors.forename: A
authors.initials: A
authors.lastname: Donohue-Rolfe
mesh_terms: D001665:Binding Sites; D002247:Carbon Isotopes; D008024:Ligands; D019906:Nuclear Magnetic Resonance, Biomolecular / Q000379:methods; D009844:Oligosaccharides / Q000737:chemistry / Q000378:metabolism*; D011522:Protons; D022622:Shiga Toxin 1 / Q000737:chemistry / Q000378:metabolism*; D012996:Solutions; D014281:Trihexosylceramides / Q000737:chemistry / Q000378:metabolism*
chemical_list: D002247:Carbon Isotopes; D008024:Ligands; D009844:Oligosaccharides; D011522:Protons; D022622:Shiga Toxin 1; D012996:Solutions; D014281:Trihexosylceramides; C018549:globotriaosylceramide