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
C-C torsion angles in HC-CCH3 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 13C-labeled epothilone (1) and tubulin. The new pulse sequence is broadly applicable to any HC-CCH3 moiety and therefore to a number of amino acid side chains in proteins.