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Determination of the Conformation of the 2′OH Group in RNA by NMR Spectroscopy and DFT Calculations
Author(s) -
Nozinovic Senada,
Gupta Puneet,
Fürtig Boris,
Richter Christian,
Tüllmann Sandor,
DuchardtFerner Elke,
Holthausen Max C.,
Schwalbe Harald
Publication year - 2011
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201007844
Subject(s) - chemistry , nucleobase , coupling constant , nuclear magnetic resonance spectroscopy , group (periodic table) , chemical shift , crystallography , computational chemistry , stereochemistry , organic chemistry , dna , physics , biochemistry , particle physics
Pucker up! The 2′OH group in RNA is responsible for the change in the predominant sugar conformation, which is key to the catalytic activity and involved in critical H‐bonding interactions. In a combined NMR spectroscopic and quantum chemical investigation, the conformational dependence of 1 J (C1′,H1′) and 1 J (C2′,H2′) coupling constants is derived. The precise conformation of the sugar, nucleobase, and the 2′OH group can be determined based on these coupling constants.