TY  - JOUR
A1  - Nozinovic, Senada
A1  - Fürtig, Boris
A1  - Jonker, Hendrik R. A.
A1  - Richter, Christian
A1  - Schwalbe, Harald
T1  - High-resolution NMR structure of an RNA model system : the 14-mer cUUCGg tetraloop hairpin RNA
T2  - Nucleic acids research
N2  - We present a high-resolution nuclear magnetic resonance (NMR) solution structure of a 14-mer RNA hairpin capped by cUUCGg tetraloop. This short and very stable RNA presents an important model system for the study of RNA structure and dynamics using NMR spectroscopy, molecular dynamics (MD) simulations and RNA force-field development. The extraordinary high precision of the structure (root mean square deviation of 0.3 Å) could be achieved by measuring and incorporating all currently accessible NMR parameters, including distances derived from nuclear Overhauser effect (NOE) intensities, torsion-angle dependent homonuclear and heteronuclear scalar coupling constants, projection-angle-dependent cross-correlated relaxation rates and residual dipolar couplings. The structure calculations were performed with the program CNS using the ARIA setup and protocols. The structure quality was further improved by a final refinement in explicit water using OPLS force field parameters for non-bonded interactions and charges. In addition, the 2'-hydroxyl groups have been assigned and their conformation has been analyzed based on NOE contacts. The structure currently defines a benchmark for the precision and accuracy amenable to RNA structure determination by NMR spectroscopy. Here, we discuss the impact of various NMR restraints on structure quality and discuss in detail the dynamics of this system as previously determined.
KW  - biological models
KW  - molecular conformation
KW  - spectrum analysis
KW  - rna
KW  - precision
Y1  - 2010
UR  - http://publikationen.ub.uni-frankfurt.de/frontdoor/index/index/docId/20236
UR  - https://nbn-resolving.org/urn:nbn:de:hebis:30-84997
SN  - 1362-4962
SN  - 0305-1048
N1  - © The Author(s) 2009. Published by Oxford University Press. This is an Open Access article distributed under the terms of the Creative Commons Attribution Non-Commercial License (http://creativecommons.org/licenses/by-nc/2.5/uk/) which permits unrestricted non-commercial use, distribution, and reproduction in any medium, provided the original work is properly cited.
VL  - 38
IS  - 2
SP  - 683
EP  - 694
PB  - Oxford Univ. Press
CY  - Oxford
ER  -