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Angular dependence of 1J(Ni,Cα i) and 2J(Ni,Cα (i − 1)) coupling constants measured in J-modulated HSQCs

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Abstract

A new method to measure 1J(Ni,Cα i) and 2J(Ni,Cα (i − 1)) coupling constants in proteins based on a J-modulated sensitivity enhanced HSQC was introduced. Coupling constants were measured in the denatured and in the native state of ubiquitin and found to depend on the conformation of the protein backbone. Using a combined data set of experimental coupling constants from ubiquitin and staphylococcal nuclease (Delaglio et al., 1991), the angular dependence of the coupling constants on the backbone angles ψand φwas investigated. It was found that the size of 2J(Ni,Cα (i − 1)) correlates strongly with the backbone conformation, while only a weak conformational dependence on the size of 1J(Ni,Cα i) coupling constants was observed. Coupling constants in the denatured state of ubiquitin were uniform along the sequence of the protein and not dependent on a given residue type. Furthermore it was shown that the observed coupling constants were in good agreement with predicted coupling constants using a simple model for the random coil.

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Author notes

  1. Harald Schwalbe

    Present address: Center for Biological Magnetic Resonance, Institut für Organische Chemie, Johann Wolfgang Goethe-Universität, Marie-Curie-Str. 11, 60439, Frankfurt/M., Germany.

Authors and Affiliations

  1. Department of Chemistry and MIT/Harvard Center for Magnetic Resonance at the Francis Bitter Magnet Laboratory, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA, 02139, U.S.A

    Julia Wirmer

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  1. Julia Wirmer
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  2. Harald Schwalbe
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Wirmer, J., Schwalbe, H. Angular dependence of 1J(Ni,Cα i) and 2J(Ni,Cα (i − 1)) coupling constants measured in J-modulated HSQCs. J Biomol NMR 23, 47–55 (2002). https://doi.org/10.1023/A:1015384805098

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