Conformation of the C-terminal pentapeptide the 'message sequence' of tachykinins as determined by consensus dynamics

摘要

The tachykinins are a family of gastrointestinal peptides comprising eight members: substance P, neurokinin A, neurokinin B, eledoisin, physalemin, uperolein, kassinin and phyl- lomedusin. Consensus dynamics was carried out on an ensemble of seven tachykinins to determine the binding conformation of the common C-terminal fragment: Phe-X-Gly-Leu-Met-NH_2, the 'message sequence' of tachykinins. Three binding modes for the C-terminal pentapeptide were determined. The first binding conformation is folded due to an intramolecular H-bond between the NH of the variable residue (X) and CO of Met.