title: Solvent bridging sites in A- and B-DNA helices.
abstract: Nucleotide hydration is important for the understanding of the stability of and the transitions between the different helical conformations of DNA. We have used energy minimization and geometric criteria in order to look for possible sites for solvent which can bridge more than one polar or charged atomic group on a nucleotide. Such bridging sites between phosphate groups have been seen experimentally and used to explain the A to B transition. We show that these phosphate bridging sites occur at energy minima around A-DNA but do not occur around B-DNA. We also find that there are further low energy bridging sites which depend on sequence and which enable the more economical hydration of the A form.
authors.affiliation: Centre de Biophysique Moleculaire, Orleans, France.
authors.forename: F
authors.initials: F
authors.lastname: Vovelle
authors.forename: R J
authors.initials: RJ
authors.lastname: Elliott
authors.forename: J M
authors.initials: JM
authors.lastname: Goodfellow
mesh_terms: D001482:Base Composition; D001483:Base Sequence; D002241:Carbohydrates / Q000737:chemistry; D004247:DNA / Q000737:chemistry*; D008958:Models, Molecular; D008969:Molecular Sequence Data; D009690:Nucleic Acid Conformation; D010710:Phosphates / Q000737:chemistry; D012997:Solvents; D014867:Water / Q000737:chemistry
chemical_list: D002241:Carbohydrates; D010710:Phosphates; D012997:Solvents; D014867:Water; D004247:DNA