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Functional annotation of ion channel structures by molecular simulation

Abstract:

Ion channels play key roles in cell membranes, and recent advances are yielding an increasing number of structures. However, their functional relevance is often unclear and better tools are required for their functional annotation. In sub-nanometer pores such as ion channels, hydrophobic gating has been shown to promote dewetting to produce a functionally closed (i.e. non-conductive) state. Using the serotonin receptor (5-HT3R) structure as an example, we demonstrate the use of molecular dyna...

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

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Publisher copy:
10.1016/j.str.2016.10.005

Authors


Chelvaniththilan, S More by this author
More by this author
Department:
Oxford, MSD, Biochemistry
Wallace, EJ More by this author
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Biotechnology and Biological Sciences Research Council More from this funder
Engineering and Physical Sciences Research Council More from this funder
Leverhulme Trust More from this funder
Wellcome Trust More from this funder
Publisher:
Cell Press Publisher's website
Journal:
Structure Journal website
Volume:
24
Issue:
12
Pages:
2207–2216
Publication date:
2016-11-05
Acceptance date:
2016-10-11
DOI:
EISSN:
1878-4186
ISSN:
0969-2126
Pubs id:
pubs:651945
URN:
uri:e9c65a5d-b0d6-41b2-9662-d7a515c9b943
UUID:
uuid:e9c65a5d-b0d6-41b2-9662-d7a515c9b943
Local pid:
pubs:651945

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