title: Water mediation is essential to nucleation of β-turn formation in peptide folding motifs.
abstract: Water-mediated bond formation: The structure of the peptide GPG-NH2 has been investigated in aqueous solution to understand the role of water in the formation of a β-turn. Using a combination of neutron diffraction enhanced by isotopic substitution, NMR spectroscopy, and computer simulations, it was found that water is an essential component to initiate folding in solution.
authors.affiliation: Department of Biochemistry, University of Oxford, South Parks Road, Oxford, OX1 3QU (United Kingdom).
authors.forename: Sebastian
authors.initials: S
authors.lastname: Busch
authors.forename: Chrystal D
authors.initials: CD
authors.lastname: Bruce
authors.forename: Christina
authors.initials: C
authors.lastname: Redfield
authors.forename: Christian D
authors.initials: CD
authors.lastname: Lorenz
authors.forename: Sylvia E
authors.initials: SE
authors.lastname: McLain
mesh_terms: D006860:Hydrogen Bonding; D008958:Models, Molecular; D010455:Peptides / Q000737:chemistry*; D017510:Protein Folding; D017433:Protein Structure, Secondary; D014867:Water / Q000737:chemistry*
chemical_list: D010455:Peptides; D014867:Water
keywords: hydrogen bonds; peptides; structure elucidation; water; β-turns