title: The role of minor groove functional groups in DNA hydration.
abstract: Here we describe the crystal structure of modified [d(CGCGAATTCGCG)]2 refined to 2.04 A. The modification, which affects only the two thymines at the central ApT step, involves isosteric removal of the 2-keto oxygen atoms and substitution of the N1 nitrogen with carbon. The crystal structure reveals the ability of this modified thymine to effectively base pair with adenine in [d(CGCGAAtTCGCG)]2. The structure also suggests that the minor groove 'spine of hydration' is destabilized but essentially intact.
authors.affiliation: School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, GA 30332, USA.
authors.forename: Kristen Kruger
authors.initials: KK
authors.lastname: Woods
authors.forename: Tao
authors.initials: T
authors.lastname: Lan
authors.forename: Larry W
authors.initials: LW
authors.lastname: McLaughlin
authors.forename: Loren Dean
authors.initials: LD
authors.lastname: Williams
mesh_terms: D000225:Adenine / Q000737:chemistry; D020029:Base Pairing; D001665:Binding Sites; D018360:Crystallography, X-Ray; D004247:DNA / Q000737:chemistry* / Q000235:genetics; D008958:Models, Molecular; D009690:Nucleic Acid Conformation; D013941:Thymine / Q000737:chemistry; D014867:Water / Q000737:chemistry*
chemical_list: D014867:Water; D004247:DNA; D000225:Adenine; D013941:Thymine