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@article{405489,
author = {Padrta, Petr and Štefl, Richard and Králík, Lukáš and Žídek, Lukáš and Sklenář, Vladimír},
article_location = {Dordrecht},
article_number = {1},
keywords = {DNA hairpin; NMR; refinement; residual dipolar couplings},
language = {eng},
issn = {0925-2738},
journal = {Journal of Biomolecular NMR},
title = {Refinement of d(GCGAAGC) hairpin structure using one- and two-bond residual dipolar couplings},
volume = {24},
year = {2002}
}
TY - JOUR
ID - 405489
AU - Padrta, Petr - Štefl, Richard - Králík, Lukáš - Žídek, Lukáš - Sklenář, Vladimír
PY - 2002
TI - Refinement of d(GCGAAGC) hairpin structure using one- and two-bond residual dipolar couplings
JF - Journal of Biomolecular NMR
VL - 24
IS - 1
SP - 1
EP - 1
PB - Kluwer/Escom
SN - 09252738
KW - DNA hairpin
KW - NMR
KW - refinement
KW - residual dipolar couplings
N2 - The structure of the 13C,15N-labeled d(GCGAAGC) hairpin, as determined by NMR spectroscopy and refined using molecular dynamics with NOE-derived distances, torsion angles, and residual dipolar couplings (RDCs), is presented. Although the studied molecule is of small size, it is demonstrated that the incorporation of diminutive RDCs can significantly improve local structure determination of regions undefined by the conventional restraints. Very good correlation between the experimental and back-calculated small one- and two-bond 1H-13C, 1H-15N, 13C-13C, and 13C-15N coupling constants has been attained. The final structures clearly show typical features of the miniloop architecture. The structure is discussed in context of the extraordinary stability of the d(GCGAAGC) hairpin, which originates from a complex interplay between the aromatic base stacking and hydrogen bonding interactions.
ER -
PADRTA, Petr, Richard ŠTEFL, Lukáš KRÁLÍK, Lukáš ŽÍDEK a Vladimír SKLENÁŘ. Refinement of d(GCGAAGC) hairpin structure using one- and two-bond residual dipolar couplings. Online. \textit{Journal of Biomolecular NMR}. Dordrecht: Kluwer/Escom, 2002, roč.~24, č.~1, s.~1-14. ISSN~0925-2738. [citováno 2024-04-23]
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