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')

J 2002

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')

TRANTÍREK, Lukáš, Richard ŠTEFL, James MASSE, Juli FEIGON, Vladimír SKLENÁŘ et. al.

Basic information

Original name

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')

Authors

TRANTÍREK, Lukáš (203 Czech Republic), Richard ŠTEFL (203 Czech Republic), James MASSE (840 United States of America), Juli FEIGON (840 United States of America) and Vladimír SKLENÁŘ (203 Czech Republic, guarantor)

Edition

Journal of Biomolecular NMR, Dordrecht, Kluwer/Escom, 2002, 0925-2738

Other information

Language

English

Type of outcome

Článek v odborném periodiku

Field of Study

10403 Physical chemistry

Country of publisher

Netherlands

Confidentiality degree

není předmětem státního či obchodního tajemství

Impact factor

Impact factor: 2.833

RIV identification code

RIV/00216224:14310/02:00005792

Organization unit

Faculty of Science

Keywords in English

DNA; glycosidic bond; Karplus equation; NMR; quadruplex; scalar coupling

Abstract

V originále

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.

Links

LN00A016, research and development project

Name: BIOMOLEKULÁRNÍ CENTRUM

Investor: Ministry of Education, Youth and Sports of the CR, Biomolecular Center

Citovat

TRANTÍREK, Lukáš, Richard ŠTEFL, James MASSE, Juli FEIGON and 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'). Journal of Biomolecular NMR. Dordrecht: Kluwer/Escom, 2002, vol. 23, No 1, p. 1-12. ISSN 0925-2738.

@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 and 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, 2002, vol.~23, No~1, p.~1-12. ISSN~0925-2738.

Detailed Information on Publication Record