title: The fine structure of two DNA dodecamers containing the cAMP responsive element sequence and its inverse. Nuclear magnetic resonance and molecular simulation studies.
abstract: 1H and 31P n.m.r. (nuclear magnetic resonance) spectroscopy have been used in conjunction with molecular simulation to determine the structure of two DNA dodecamers. The first of these, CATGACGTCATG, contains the octameric sequence CRE (cAMP responsive element), while the second is the reversed sequence, GTACTGCAGTAC. Structure determination was based on both NOESY (nuclear Overhauser spectroscopy) derived distances and COSY (correlated spectroscopy) dihedral angle data. Access to the 31P spectra also allowed the epsilon backbone angles to be determined. Considerable care was taken in deriving structural parameters from the n.m.r. data and an excellent level of agreement is obtained with the simulated conformations. Both dodecamers are found to belong to the B-DNA family; however, there is a striking difference between the CRE sequence and its inverse, the former conformation alone showing a strong structural heterogeneity.
authors.affiliation: Pharmacologie Moléculaire (Inserm U 140, CNRS URA 158), Institut Gustave Roussy, Villejuif, France.
authors.forename: O
authors.initials: O
authors.lastname: Mauffret
authors.forename: B
authors.initials: B
authors.lastname: Hartmann
authors.forename: O
authors.initials: O
authors.lastname: Convert
authors.forename: R
authors.initials: R
authors.lastname: Lavery
authors.forename: S
authors.initials: S
authors.lastname: Fermandjian
mesh_terms: D001483:Base Sequence; D000242:Cyclic AMP / Q000494:pharmacology*; D009682:Magnetic Resonance Spectroscopy; D008433:Mathematics; D008969:Molecular Sequence Data; D009690:Nucleic Acid Conformation; D009838:Oligodeoxyribonucleotides / Q000737:chemistry* / Q000235:genetics; D010758:Phosphorus; D011522:Protons; D012045:Regulatory Sequences, Nucleic Acid / Q000235:genetics
chemical_list: D009838:Oligodeoxyribonucleotides; D011522:Protons; D010758:Phosphorus; D000242:Cyclic AMP