title: [Study of the spatial structure of the duplex d(pTGTTTGGC) d(pCCAAAC)A in aqueous solution by methods of uni- and two-dimensional (1)H-NMR spectroscopy and organic molecular mechanics].
abstract: Structure of the complementary complex d(pTGTTTGGC) d(pCCAAAC)A in the aqueous solution has been investigated by one- and two-dimensional 1H NMR spectroscopy. The resonances of nonexchangeable protons of bases as well as methyl and deoxyribose 1', 2'a, 2'b, 3' and 4' protons have been assigned by means of two-dimensional J-correlated spectroscopy (COSY) and two-dimensional nuclear Overhauser enhancement spectroscopy (NOESY). Using one-dimensional NOE measurements, 62 interproton distances (intranucleotide: (H6/H8)i--(H1')t, (H6/H8)i--(H2'a)i, (H1')i--(H2'a)i, (H1')i--(H2'b)i; internucleotide: (H6/H8)i--(H1')i-1, (H6/H8)i--(H2'a)i-1, (H6/H8)i--(H2'b)i-1, (H5/CH3)i--(H6/H8)i-1, (H5/CH3)i--(H2'a/H2'b)i-1) have been determined for nearest-neighbour protons. Spin-coupling constant values for some sugar protons have been obtained from COSY spectra. The restrained molecular mechanics calculations have yielded the possible solution structures of duplex fitting the experimental set of interproton distances and coupling constants.
authors.forename: E V
authors.initials: EV
authors.lastname: Bichenkova
authors.forename: Iu N
authors.initials: IuN
authors.lastname: Vorob'ev
authors.forename: I V
authors.initials: IV
authors.lastname: Kutiavin
authors.forename: A V
authors.initials: AV
authors.lastname: Lebedev
authors.forename: T V
authors.initials: TV
authors.lastname: Mal'tseva
authors.forename: E Iu
authors.initials: EIu
authors.lastname: Ténné
mesh_terms: D001483:Base Sequence; D009682:Magnetic Resonance Spectroscopy; D008969:Molecular Sequence Data; D009690:Nucleic Acid Conformation; D009692:Nucleic Acid Heteroduplexes / Q000737:chemistry*; D012996:Solutions; D014867:Water
chemical_list: D009692:Nucleic Acid Heteroduplexes; D012996:Solutions; D014867:Water
vernacular_title: Issledovanie prostranstvennoĭ struktury dupleksa d(pTGTTTGGC) d(pCCAAAC)A v vodnom rastvore metodami odno- i dvumernoĭ (1)H-IaMR- spektroskopii i organichnnoĭ molekuliarnoĭ mekhaniki.