Experimentally based model of a complex between a snake toxin and the alpha 7 nicotinic receptor.

ABSTRACT: To understand how snake neurotoxins interact with nicotinic acetylcholine receptors, we have elaborated an experimentally based model of the alpha-cobratoxin-alpha7 receptor complex. This model was achieved by using (i) a three-dimensional model of the alpha7 extracellular domain derived from the crystallographic structure of the homologous acetylcholine-binding protein, (ii) the previously solved x-ray structure of the toxin, and (iii) nine pairs of residues identified by cycle-mutant experiments to make contacts between the alpha-cobratoxin and alpha7 receptor. Because the receptor loop F occludes entrance of the toxin binding pocket, we submitted this loop to a dynamics simulation and selected a conformation that allowed the toxin to reach its binding site. The three-dimensional structu

SUBMITTER: Fruchart-Gaillard C 

PROVIDER: S-EPMC122499 | biostudies-literature | 2002 Mar

REPOSITORIES: biostudies-literature