PADRTA, Petr, Richard ŠTEFL, Lukáš KRÁLÍK, Lukáš ŽÍDEK and Vladimír SKLENÁŘ. Refinement of d(GCGAAGC) hairpin structure using one- and two-bond residual dipolar couplings. Journal of Biomolecular NMR. Dordrecht: Kluwer/Escom, 2002, vol. 24, No 1, p. 1-14. ISSN 0925-2738.
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Basic information
Original name Refinement of d(GCGAAGC) hairpin structure using one- and two-bond residual dipolar couplings
Authors PADRTA, Petr (203 Czech Republic), Richard ŠTEFL (203 Czech Republic), Lukáš KRÁLÍK (203 Czech Republic), Lukáš ŽÍDEK (203 Czech Republic) and Vladimír SKLENÁŘ (203 Czech Republic, guarantor).
Edition Journal of Biomolecular NMR, Dordrecht, Kluwer/Escom, 2002, 0925-2738.
Other information
Original language English
Type of outcome Article in a journal
Field of Study 10600 1.6 Biological sciences
Country of publisher Netherlands
Confidentiality degree is not subject to a state or trade secret
Impact factor Impact factor: 2.833
RIV identification code RIV/00216224:14310/02:00006455
Organization unit Faculty of Science
UT WoS 000178550700001
Keywords in English DNA hairpin; NMR; refinement; residual dipolar couplings
Tags DNA hairpin, NMR, REFINEMENT, residual dipolar couplings
Changed by Changed by: prof. RNDr. Vladimír Sklenář, DrSc., učo 2611. Changed: 20/6/2008 12:55.
Abstract
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.
Links
LN00A016, research and development projectName: BIOMOLEKULÁRNÍ CENTRUM
Investor: Ministry of Education, Youth and Sports of the CR, Biomolecular Center
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