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2008 ; 32
(4
): 361-6
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Ca2+-dimethylphosphate complex formation: providing insight into Ca2+-mediated
local dehydration and membrane fusion in cells
#MMPMID18452809
Potoff JJ
; Issa Z
; Manke CW Jr
; Jena BP
Cell Biol Int
2008[Apr]; 32
(4
): 361-6
PMID18452809
show ga
Earlier studies using X-ray diffraction, light scattering, photon correlation
spectroscopy, and atomic force microscopy, strongly suggest that SNARE-induced
membrane fusion in cells proceeds as a result of calcium bridging opposing
bilayers. The bridging of phospholipid heads groups in the opposing bilayers by
calcium leads to the release of water from hydrated Ca(2+) ions as well as the
loosely coordinated water at PO-lipid head groups. Local dehydration of
phospholipid head groups and the calcium, bridging opposing bilayers, then leads
to destabilization of the lipid bilayers and membrane fusion. This hypothesis was
tested in the current study by atomistic molecular dynamic simulations in the
isobaric-isothermal ensemble using hydrated dimethylphosphate anions (DMP(-)) and
calcium cations. Results from the study demonstrate, formation of DMP-Ca(2+)
complexes and the consequent removal of water, supporting the hypothesis. Our
study further demonstrates that as a result of Ca(2+)-DMP self-assembly, the
distance between anionic oxygens between the two DMP molecules is reduced to
2.92A, which is in close agreement with the 2.8A SNARE-induced apposition
established between opposing bilayers, reported earlier from X-ray diffraction
measurements.