Solution conformation of gramicidin S: An intramolecular nuclear Overhauser effect study

  1. Dee-Hua Huang*,
  2. Roderich Walter,,
  3. Jerry D. Glickson§, and
  4. N. Rama Krishna*,§,
  1. *Comprehensive Cancer Center and Department of Physics, The University of Alabama in Birmingham, University Station, Birmingham, Alabama 35294
  2. §Comprehensive Cancer Center and Department of Biochemistry, The University of Alabama in Birmingham, University Station, Birmingham, Alabama 35294
  3. Department of Physiology and Biophysics, University of Illinois at the Medical Center, Chicago, Illinois 60680

Abstract

The solution conformation of gramicidin S in deuterated dimethyl sulfoxide was investigated by using the intramolecular nuclear Overhauser effect experiment. Experimental Overhauser enhancements were compared with predicted values for each of the nine most-stable conformations (M1-M9) calculated by Dygert et al. on the basis of energy-minimization procedures [Dygert, M., Gō, N. & Scheraga, H. A. (1975) Macromolecules 8, 750-761]. By using statistical hypothesis testing, the three lowest-energy conformations (M1, M2, and M3) were shown to give the best fit with the experimental data. All other conformations (M4-M9) were found to be inconsistent with the experimental data.

Footnotes

  • Deceased, 1979.

  • To whom reprint requests should be addressed at: The Comprehensive Cancer Center, University of Alabama in Birmingham, Birmingham, AL 35294.

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