Molecular dynamic simulation on the conformation of mouse muscle type nAChR

2010, Volume 4, Issue 3

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Frontiers of Chemical Science and Engineering >> 2010, Volume 4, Issue 3 doi: 10.1007/s11705-009-0284-4

Molecular dynamic simulation on the conformation of mouse muscle type nAChR

1.No.1 Senior High School, Muping 264100, China; 2.Institute for Molecular Bioscience, University of Queensland, Brisbane QLD 4072, Australia; 3.School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072, China;

Available online：2010-09-05

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Abstract

A mouse muscle type nAChR model ((α1)βδγ) was built based on the cryoelectron microscopic structure of intact 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.

Keywords

pentameric ; hydrophilic ; Tyr127 ; cryoelectron microscopic ; conformation

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