title: The GTm6AC sequence is overwound and bent.
abstract: By a combination of distance constraints obtained from NMR spectra and molecular mechanics calculations we have determined the three dimensional structure of the self-complementary decanucleotide d(CGCGTm6ACGCG). Methylation of an adenine at a position 3' to T induces significant conformational changes relative to B-DNA. This arises from the close proximity of the four methyl groups in the large groove in the centre of the sequence. The helical twist between the two T.m6A base pairs is found to be 45 degrees, as for D-DNA, and is accompanied by a high negative value of the wedge roll angle between these base pairs. The overall nonzero wedge roll observed shows that the helix is bent. These constraints appear to be material for the absence of the sequence T-m6A in natural DNAs.
authors.affiliation: Département de Biologie, Centre d'Etudes Nucléaires de Saclay, Gif-sur-Yvette, France.
authors.forename: G V
authors.initials: GV
authors.lastname: Fazakerley
authors.forename: J
authors.initials: J
authors.lastname: Gabarro-Arpa
authors.forename: M
authors.initials: M
authors.lastname: Lebret
authors.forename: A
authors.initials: A
authors.lastname: Guy
authors.forename: W
authors.initials: W
authors.lastname: Guschlbauer
mesh_terms: D000225:Adenine / Q000378:metabolism; D001482:Base Composition; D001483:Base Sequence; D002236:Carbohydrate Conformation; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D009690:Nucleic Acid Conformation; D009841:Oligonucleotides; D015265:Site-Specific DNA-Methyltransferase (Adenine-Specific)
chemical_list: D009841:Oligonucleotides; D015265:Site-Specific DNA-Methyltransferase (Adenine-Specific); D000225:Adenine