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PIP(2)-binding site in Kir channels: definition by multiscale biomolecular simulations.

Abstract:

Phosphatidylinositol bisphosphate (PIP(2)) is an activator of mammalian inwardly rectifying potassium (Kir) channels. Multiscale simulations, via a sequential combination of coarse-grained and atomistic molecular dynamics, enabled exploration of the interactions of PIP(2) molecules within the inner leaflet of a lipid bilayer membrane with possible binding sites on Kir channels. Three Kir channel structures were investigated: X-ray structures of KirBac1.1 and of a Kir3.1-KirBac1.3 chimera and ...

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Publication status:
Published

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Publisher copy:
10.1021/bi9013193

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Institution:
University of Oxford
Department:
Oxford, MSD, Physiology Anatomy and Genetics
Role:
Author
Journal:
Biochemistry
Volume:
48
Issue:
46
Pages:
10926-10933
Publication date:
2009-11-05
DOI:
EISSN:
1520-4995
ISSN:
0006-2960
URN:
uuid:18c08d43-6e45-416e-9c41-f347346b418f
Source identifiers:
100608
Local pid:
pubs:100608

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