Two-dimensional 1H NMR experiments show that the 23-residue magainin antibiotic peptide is an alpha-helix in dodecylphosphocholine micelles, sodium dodecylsulfate micelles, and trifluoroethanol/water solution

J Biomol NMR. 1997 Feb;9(2):127-35. doi: 10.1023/a:1018698002314.

Abstract

Magainin2 is a 23-residue antibiotic peptide that disrupts the ionic gradient across certain cell membranes. Two-dimensional 1H NMR spectroscopy was used to investigate the structure of the peptide in three of the membrane environments most commonly employed in biophysical studies. Sequence-specific resonance assignments were determined for the peptide in perdeuterated dodecylphosphocholine (DPC) and sodium dodecylsulfate micelles and confirmed for the peptide in 2,2,2-trifluoroethanol solution. The secondary structure is shown to be helical in all of the solvent systems. The NMR data were used as a set of restraints for a simulated annealing protocol that generated a family of three-dimensional structures of the peptide in DPC micelles, which superimposed best between residues 4 and 20. For these residues, the mean pairwise rms difference for the backbone atoms is 0.47 +/- 0.10 A from the average structure. The calculated peptide structures appear to be curved, with the bend centered at residues Phe12 and Gly13.

Publication types

  • Comparative Study
  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Amino Acid Sequence
  • Anti-Infective Agents / chemistry*
  • Antimicrobial Cationic Peptides*
  • Deuterium
  • Hydrogen
  • Magainins
  • Magnetic Resonance Spectroscopy / methods
  • Micelles
  • Models, Molecular
  • Molecular Sequence Data
  • Peptides / chemical synthesis
  • Peptides / chemistry*
  • Phosphorylcholine / analogs & derivatives
  • Protein Structure, Secondary*
  • Sodium Dodecyl Sulfate
  • Solutions
  • Trifluoroethanol
  • Water
  • Xenopus Proteins*

Substances

  • Anti-Infective Agents
  • Antimicrobial Cationic Peptides
  • Magainins
  • Micelles
  • Peptides
  • Solutions
  • Xenopus Proteins
  • Water
  • Phosphorylcholine
  • magainin 2 peptide, Xenopus
  • Sodium Dodecyl Sulfate
  • dodecylphosphocholine
  • Trifluoroethanol
  • Hydrogen
  • Deuterium