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@article{403825,
author = {Trantírek, Lukáš and Štefl, Richard and Masse, James and Feigon, Juli and Sklenář, Vladimír},
article_location = {Dordrecht},
article_number = {1},
keywords = {DNA; glycosidic bond; Karplus equation; NMR; quadruplex; scalar coupling},
language = {eng},
issn = {0925-2738},
journal = {Journal of Biomolecular NMR},
title = {Determination of the glycosidic torsion angels in uniformly C-13 labeled nucleic acids from vicinal coupling constants 3J(C2/4-H1') and 3J(C6/8-H1')},
volume = {23},
year = {2002}
}
TY - JOUR
ID - 403825
AU - Trantírek, Lukáš - Štefl, Richard - Masse, James - Feigon, Juli - Sklenář, Vladimír
PY - 2002
TI - Determination of the glycosidic torsion angels in uniformly C-13 labeled nucleic acids from vicinal coupling constants 3J(C2/4-H1') and 3J(C6/8-H1')
JF - Journal of Biomolecular NMR
VL - 23
IS - 1
SP - 1
EP - 1
PB - Kluwer/Escom
SN - 09252738
KW - DNA
KW - glycosidic bond
KW - Karplus equation
KW - NMR
KW - quadruplex
KW - scalar coupling
N2 - A two-dimensional, quantitative J-correlation NMR experiment for precise measurements of the proton-carbon vicinal coupling constants 3JC2/4-H1' and 3JC6/8-H1' in uniformly 13C-labeled nucleic acids is presented. To reduce loss of signal due to 1H -13C dipole-dipole relaxation, a multiple-quantum constant time experiment with appropriately incorporated band selective 1H and 13C pulses was applied. The experiment is used to obtain the 3JC2/4-H1' and 3JC6/8-H1' coupling constants in a uniformly 13C, 15N-labeled [d(G4T4G4)]2 quadruplex. The measured values and glycosidic torsion angles in the G-quadruplex, obtained by restrained molecular dynamics with explicit solvent using the previously published restraints, along with selected data from the literature, are used to check and modify existing parameters of the Karplus equations. The parameterizations obtained using glycosidic torsion angles derived from the original solution and recently determined X-ray structures are also compared.
ER -
TRANTÍREK, Lukáš, Richard ŠTEFL, James MASSE, Juli FEIGON a Vladimír SKLENÁŘ. Determination of the glycosidic torsion angels in uniformly C-13 labeled nucleic acids from vicinal coupling constants 3J(C2/4-H1') and 3J(C6/8-H1'). \textit{Journal of Biomolecular NMR}. Dordrecht: Kluwer/Escom, roč.~23, č.~1, s.~1-12. ISSN~0925-2738. 2002.
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