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Molecular dynamics study of water and Na⁺ ions in models of the pore region of the nicotinic acetylcholine receptor

Abstract:

The nicotinic acetylcholine receptor (nAChR) is an integral membrane protein that forms ligand-gated and cation-selective channels. The central pore is lined by a bundle of five approximately parallel M2 helices, one from each subunit. Candidate model structures of the solvated pore region of a homopentameric (α7)5 nAChR channel in the open state, and in two possible forms of the closed state, have been studied using molecular dynamics simulations with restraining potentials. It is...

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Publication status:
Published
Peer review status:
Peer reviewed
Version:
Publisher's version

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Publisher copy:
10.1016/S0006-3495(97)78169-4

Authors


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Institution:
University of Oxford
Department:
Medical Sciences Division - Biochemistry
Role:
Author
Wellcome Trust More from this funder
Publisher:
Elsevier Inc. Publisher's website
Journal:
Biophysical Journal Journal website
Volume:
73
Issue:
3
Pages:
1364–1381
Publication date:
1997-09-05
DOI:
ISSN:
0006-3495
URN:
uuid:5de8686a-588f-49e8-bb49-cb059f558a65
Local pid:
ora:8112

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