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Derivation of Dihedral Angles from CH–CH Dipolar–Dipolar Cross‐Correlated Relaxation Rates: A C–C Torsion Involving a Quaternary Carbon Atom in Epothilone A Bound to Tubulin
Author(s) -
Carlomagno Teresa,
Sánchez Víctor M.,
Blommers Marcel J. J.,
Griesinger Christian
Publication year - 2003
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.200350950
Subject(s) - dihedral angle , chemistry , moiety , dipole , crystallography , steric effects , torsion (gastropod) , stereochemistry , pulse sequence , tubulin , microtubule , nuclear magnetic resonance , molecule , organic chemistry , physics , hydrogen bond , medicine , surgery , biology , microbiology and biotechnology
C–C torsion angles in HC‐CCH 3 moieties can be measured by a new NMR experiment based on the measurement of CH–CH dipolar–dipolar cross‐correlated relaxation rates and is demonstrated on a mixture of 13 C‐labeled epothilone ( 1 ) and tubulin. The new pulse sequence is broadly applicable to any HC‐CCH 3 moiety and therefore to a number of amino acid side chains in proteins.