Computer simulation of the conformational behaviour of angiotensinogen (6-13) renin substrate

J Comput Aided Mol Des. 1992 Feb;6(1):79-91. doi: 10.1007/BF00124388.

Abstract

The conformational behaviour of the biologically active angiotensinogen (6-13) fragment has been investigated by computer simulations. A large sample of conformers has been generated using the Monte-Carlo procedure, then analysed using classification and partition methods. Seven families can describe the conformational distribution. About 40% of conformers are fully extended, 28% are folded at the C-terminal His6-Pro7-Phe8-His9 level and the others are folded at different levels. The study highlights the extreme flexibility of the angiotensinogen fragment.

MeSH terms

  • Amino Acid Sequence
  • Angiotensinogen / chemistry*
  • Computer Simulation
  • Molecular Sequence Data
  • Peptide Fragments / chemistry*
  • Protein Conformation

Substances

  • Peptide Fragments
  • Angiotensinogen
  • angiotensinogen (6-13)