Computer simulation of the conformational behaviour of angiotensinogen (6-13) renin substrate.
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.
Benkoulouche
M
M
Laboratoire de Cristallographie, URA 144 du CNRS, Talence, France.
Cotrait
M
M
Maigret
B
B
D000595:Amino Acid Sequence; D000808:Angiotensinogen / Q000737:chemistry*; D003198:Computer Simulation; D008969:Molecular Sequence Data; D010446:Peptide Fragments / Q000737:chemistry*; D011487:Protein Conformation
D010446:Peptide Fragments; D000808:Angiotensinogen; C055796:angiotensinogen (6-13)