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Fine Structure of the P–H5′ Cross‐Peak in 31 P– 1 H Correlated 2D NMR Spectroscopy. An Efficient Probe for the Backbone Torsion Angles β and γ in Nucleic Acids
Author(s) -
Pikkemaat Jeroen A.,
Altona Cornelis
Publication year - 1996
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/(sici)1097-458x(199612)34:13<s33::aid-omr39>3.0.co;2-h
Subject(s) - chemistry , nucleic acid , dihedral angle , nuclear magnetic resonance spectroscopy of nucleic acids , guanine , torsion (gastropod) , crystallography , nuclear magnetic resonance spectroscopy , coupling constant , proton nmr , analytical chemistry (journal) , stereochemistry , transverse relaxation optimized spectroscopy , fluorine 19 nmr , molecule , hydrogen bond , nucleotide , organic chemistry , surgery , physics , particle physics , gene , medicine , biochemistry
The splitting pattern of the P–H5″ (and P–H5′) cross‐peak in a 2D 31 P– 1 H correlated NMR spectrum is analysed. Since this cross‐peak pattern is strongly dependent on two coupling constants, 3 J (PH5″) and 3 J (H4′H5″), it is an efficient probe for the backbone torsion angles β and γ in nucleic acids. A method, based on cross‐peak simulation, is described to determine the values of 3 J (PH5″) and 3 J (H4′H5″) in a semiquantitative fashion from the fine structure of the multiplet. The method is exemplified by the analysis of the P–H5″ cross peaks of the guanine residues at the 3′→5′ loop‐stem junctions of two dumbbell‐shaped DNA double‐hairpin loop structures.