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Chapter 5,028

Computer modeling of the neurotoxin binding site of acetylcholine receptor spanning residues 185 through 196

Garduno-Juarez, R.; Shibata, M.; Zielinski, T.J.; Rein, R.; Rein, R.

Acta Biochimica et Biophysica Hungarica 22(4): 391-402

1987


ISSN/ISBN: 0237-6261
PMID: 3132001
Accession: 005027563

A model of the complex between the acetylcholine receptor and the snake neurotoxin, cobratoxin, was built by molecular model building and energy optimization techniques. The experimentally identified functionally important residues of cobratoxin and the dodecapeptide corresponding to the residues 185 -196 of acetylcholine receptor .alpha. subunit were used to build the model. Both cis and trans conformers of cyclic L-cystine portion of the dodecapeptide were examined. Binding residues independently identified on cobratoxin are shown to interact with the dodecapeptide AChR model.

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