Correlated motions of successive amide N-H bonds in proteins |
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Authors: | Pelupessy Philippe Ravindranathan Sapna Bodenhausen Geoffrey |
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Institution: | (1) Département de chimie, associé au CNRS, Ecole Normale Supérieure, 24 rue Lhomond, 75231 Paris cedex 05, France;(2) 1015 Lausanne, Switzerland |
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Abstract: | New nuclear magnetic resonance (NMR) methods are described for the measurement of cross-correlation rates of zero- and double-quantum coherences involving two nitrogen nuclei belonging to successive amino acids in proteins and peptides. Rates due to the concerted fluctuations of two NHN dipole-dipole interactions and to the correlated modulations of two nitrogen chemical shift anisotropies have been obtained in a sample of doubly labeled Ubiquitin. Ambiguities in the determination of dihedral angles can be lifted by comparison of different rates. By defining a heuristic order parameter, experimental rates can be compared with those expected for a rigid molecule. The cross-correlation order parameter that can be derived from a model-free approach can be separated into structural and dynamic contributions. |
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Keywords: | cross-correlation dihedral angles NMR protein dynamics |
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