Solution structure of contryphan-R, a naturally occurring disulfide-bridged octapeptide containing D-tryptophan: comparison with protein loops

Biochemistry. 1999 Aug 31;38(35):11553-9. doi: 10.1021/bi990685j.

Abstract

Contryphan-R is a disulfide-constrained octapeptide containing a D-tryptophan that was isolated recently from venom of the cone shell Conus radiatus. The polypeptide is present in two forms in solution due to cis-trans isomerization at hydroxyproline 3. The solution structure of the major form of this unusual polypeptide, determined from NMR data, consists of a well-defined fold containing a non-hydrogen-bonded chain reversal from Gly1 to Glu5, which includes a cis-hydroxyproline and a D-Trp, and a type I beta-turn from Glu5 to Cys8. The presence of a putative salt bridge between the Glu5 carboxyl group and the N-terminal ammonium group is investigated by using various solvation models during energy minimization and is compared with the results of a pH titration. A comparison of the structure of contryphan-R with other cyclic peptide structures highlights some of the key structural determinants of these peptides and suggests that the contryphan-R fold could be exploited as a scaffold onto which unrelated protein binding surfaces could be grafted. Comparison with small disulfide-bridged loops in larger proteins shows that contryphan-R is similar to a commonly occurring loop structure found in proteins.

Publication types

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

MeSH terms

  • Animals
  • Crystallography, X-Ray
  • Disulfides / chemistry*
  • Hydrogen Bonding
  • Models, Molecular
  • Mollusk Venoms / chemistry*
  • Nuclear Magnetic Resonance, Biomolecular
  • Oligopeptides / chemistry*
  • Peptide Fragments / chemistry*
  • Peptides, Cyclic / chemistry*
  • Protein Conformation
  • Protein Folding
  • Solutions
  • Tryptophan / chemistry*

Substances

  • Disulfides
  • Mollusk Venoms
  • Oligopeptides
  • Peptide Fragments
  • Peptides, Cyclic
  • Solutions
  • contryphan
  • Tryptophan

Associated data

  • PDB/1QFB