Molecular dynamic simulation on the conformation of mouse muscle type nAChR

Abstract

A mouse muscle type nAChR model ((α1)₂βδγ) was built based on the cryoelectron microscopic structure of intact Torpedo marmorata nAChR and the high resolution crystal structure of nAChR-α1 subunit. The conformation of the pentameric nAChR model was investigated by molecular dynamic simulation. The function of water molecule in the hydrophilic interior was clarified. The reason for Tyr127 showing two alternative conformations was discussed in detail.

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