title: Solution structure of a non-palindromic 16 base-pair DNA related to the HIV-1 kappa B site: evidence for BI-BII equilibrium inducing a global dynamic curvature of the duplex.
abstract: 1H and 31P NMR spectroscopy have been used together with molecular modelling to determine the fine structure of a non-palindromic 16 bp DNA containing the NF-kappa B binding site. Much emphasis has been placed upon NMR optimization of both two-dimensional 31P NMR techniques to extract structural information defining the phosphodiester backbone conformation and selective homonuclear 2D COSY experiments to determine sugar conformations. NMR data show evidence for a dynamic behaviour of steps flanking the ten base-pairs of the NF-kappa B binding site. A BI-BII equilibrium at these steps is demonstrated and two models for each extreme conformation are proposed in agreement with NMR data. In the refined BII structures, the NF-kappa B binding site exhibits an intrinsic curvature towards the major groove that is magnified by the four flanking steps in the BII conformation. Furthermore, the base-pairs are translated into the major groove. Thus, we present a novel mode of dynamic intrinsic curvature compatible with the DNA curvature observed in the X-ray structure of the p50-DNA complex.
authors.affiliation: Laboratoire de RMN, Institut Pasteur, CNRS URA, Paris, France.
authors.forename: C
authors.initials: C
authors.lastname: Tisné
authors.forename: E
authors.initials: E
authors.lastname: Hantz
authors.forename: B
authors.initials: B
authors.lastname: Hartmann
authors.forename: M
authors.initials: M
authors.lastname: Delepierre
mesh_terms: D004279:DNA, Viral / Q000737:chemistry*; D015497:HIV-1 / Q000737:chemistry* / Q000235:genetics; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D016328:NF-kappa B / Q000737:chemistry* / Q000378:metabolism; D009690:Nucleic Acid Conformation; D009838:Oligodeoxyribonucleotides / Q000737:chemistry* / Q000378:metabolism; D013696:Temperature
chemical_list: D004279:DNA, Viral; D016328:NF-kappa B; D009838:Oligodeoxyribonucleotides