title: Crystal and molecular structure of a DNA fragment containing a 2-aminoadenine modification: the relationship between conformation, packing, and hydration in Z-DNA hexamers.
abstract: The crystal and molecular structure of d(CGUA'CG)2 (where A' is 2-aminoadenine) has been determined and refined to an R factor of 13.8% for data 8.0-1.3 A. The structure is very similar to the original Z-DNA structures with the sequence d(CGCGCG)2 [Gessner, R. V., Frederick, C. A., Quigley, G. J., Rich, A., & Wang, A. H.-J. (1989) J. Biol. Chem. 264, 7921] and shows that the substitution of 2-aminoadenine-uracil base pairs in the two central steps is consistent with Z-DNA formation. In addition, we show how waters mediating intermolecular interactions may help to explain the ZI-ZII conformational pattern found in many Z-DNA structures.
authors.affiliation: Department of Chemistry, Rutgers, State University of New Jersey, New Brunswick 08903.
authors.forename: B
authors.initials: B
authors.lastname: Schneider
authors.forename: S L
authors.initials: SL
authors.lastname: Ginell
authors.forename: R
authors.initials: R
authors.lastname: Jones
authors.forename: B
authors.initials: B
authors.lastname: Gaffney
authors.forename: H M
authors.initials: HM
authors.lastname: Berman
mesh_terms: D015075:2-Aminopurine / Q000031:analogs & derivatives* / Q000737:chemistry; D003461:Crystallography; D004247:DNA / Q000737:chemistry*; D008958:Models, Molecular; D009690:Nucleic Acid Conformation; D014867:Water / Q000737:chemistry*
chemical_list: D014867:Water; D015075:2-Aminopurine; C007300:2,6-diaminopurine; D004247:DNA