title: [Study of the spatial structure of the duplex (Phn-NH(CH2)NH)pd(CCAAACA).pd(TGTTTGGC) with covalently bound 10-(2-hydroxyethyl)phenazine by in aqueous solution by 2D-(1)H-NMR and by limited molecular mechanics].
abstract: Detailed investigation of the spatial structure of duplex (Phn-NH(CH2)2NH) x pd(CCAAACA).pd(TGTTTGGC) having a covalently linked N-(2-hydroxyethyl)-phenazine in aqueous solution was continued by means of one- and two-dimensional 1H-NMR spectroscopy. Distances between the protons of the oligonucleotides as well as distances between the phenazinium and the nearest nucleotide groups protons were determined from the series of one-dimensional NOE experiments. The effective correlation time tau c determined for some proton pairs shows the phenazinium fragment to have greater internal motion than the heterocyclic bases. The deoxyribose protons coupling constants show the sugars to be in 2'-endo-conformation. The restrained molecular mechanics have yielded a possible structure of duplex in the aqueous solution fitting the experimental set of interproton distances.
authors.forename: E V
authors.initials: EV
authors.lastname: Bichenkova
authors.forename: L A
authors.initials: LA
authors.lastname: Gorenshteĭn
authors.forename: Iu N
authors.initials: IuN
authors.lastname: Vorob'ev
authors.forename: E Iu
authors.initials: EIu
authors.lastname: Tenne
authors.forename: V F
authors.initials: VF
authors.lastname: Zarytova
authors.forename: E M
authors.initials: EM
authors.lastname: Ivanova
authors.forename: T V
authors.initials: TV
authors.lastname: Mal'tseva
authors.forename: A V
authors.initials: AV
authors.lastname: Lebedev
mesh_terms: D000818:Animals; D001483:Base Sequence; D006224:Cricetinae; D009682:Magnetic Resonance Spectroscopy / Q000379:methods; D008969:Molecular Sequence Data; D009690:Nucleic Acid Conformation; D009711:Nucleotides / Q000737:chemistry*; D010619:Phenazines / Q000737:chemistry*; D012996:Solutions; D014867:Water
chemical_list: D009711:Nucleotides; D010619:Phenazines; D012996:Solutions; D014867:Water; C076555:10-(2-hydroxyethyl)phenazine
vernacular_title: Issledovanie prostranstvennoĭ strukury dupleksa (Phn-NH(CH2)NH)pd(CCAAACA).pd(TGTTTGGC) s kovalentno prisodinennym 10-(2-gidroksiétil)fenaziniem v vodnom rastvore metodom 2M-(1)IaMR-spektroskopii i metodomogranichennoĭ molekuliarnoĭ mekhaniki.