Solution conformation of endothelin-1 by 1H NMR, CD, and molecular modeling

Int J Pept Protein Res. 1991 Mar;37(3):174-9. doi: 10.1111/j.1399-3011.1991.tb00267.x.

Abstract

The solution conformation of Endothelin-1, a recently discovered bicyclic, 21 amino acid peptide, has been examined by 1H NMR in deuterated dimethylsulphoxide and circular dichroism in aqueous and organic solvents. A total of 158 NOEs were detected, which were used as distance constraints in the distance geometry program DISGEO. Two families of structures were obtained, both characterized by a helix-like region extending from Lys9 to Cys15, but with opposite "handedness". Circular dichroism studies of the peptide in both aqueous and trifluoroethanol solutions show a negative shoulder at 224 nm, characteristic of right-handed helices. Molecular dynamics and energy minimization yielded a solution structure for this new peptide compatible with all experimental observations.

MeSH terms

  • Amino Acid Sequence
  • Animals
  • Circular Dichroism
  • Endothelins / chemistry*
  • Magnetic Resonance Spectroscopy
  • Models, Molecular
  • Molecular Sequence Data
  • Protein Conformation
  • Thermodynamics

Substances

  • Endothelins