title: Strong solute-solute dispersive interactions in a protein-ligand complex.
abstract: The contributions of solute-solute dispersion interactions to binding thermodynamics have generally been thought to be small, due to the surmised equality between solute-solvent dispersion interactions prior to the interaction versus solute-solute dispersion interactions following the interaction. The thermodynamics of binding of primary alcohols to the major urinary protein (MUP-I) indicate that this general assumption is not justified. The enthalpy of binding becomes more favorable with increasing chain length, whereas the entropy of binding becomes less favorable, both parameters showing a linear dependence. Despite the hydrophobicity of the interacting species, these data show that binding is not dominated by the classical hydrophobic effect, but can be attributed to favorable ligand-protein dispersion interactions.
authors.affiliation: Astbury Centre for Structural Molecular Biology, School of Biochemistry & Molecular Biology, University of Leeds, UK.
authors.forename: Richard
authors.initials: R
authors.lastname: Malham
authors.forename: Sarah
authors.initials: S
authors.lastname: Johnstone
authors.forename: Richard J
authors.initials: RJ
authors.lastname: Bingham
authors.forename: Elizabeth
authors.initials: E
authors.lastname: Barratt
authors.forename: Simon E V
authors.initials: SE
authors.lastname: Phillips
authors.forename: Charles A
authors.initials: CA
authors.lastname: Laughton
authors.forename: Steve W
authors.initials: SW
authors.lastname: Homans
mesh_terms: D000438:Alcohols / Q000737:chemistry* / Q000378:metabolism*; D000818:Animals; D001665:Binding Sites; D002151:Calorimetry; D018360:Crystallography, X-Ray; D008024:Ligands; D051379:Mice; D008958:Models, Molecular; D011506:Proteins / Q000737:chemistry* / Q000378:metabolism*; D013816:Thermodynamics; D014867:Water / Q000737:chemistry / Q000378:metabolism
chemical_list: D000438:Alcohols; D008024:Ligands; D011506:Proteins; C035737:major urinary proteins; D014867:Water