Ca2+ Bridging of Apposed Phospholipid Bilayers
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- 作者：Zeena K. Issa ; Charles W. Manke ; Bhanu P. Jena ; Jeffrey J. Potoff
- 刊名：Journal of Physical Chemistry B
- 出版年：2010
- 出版时间：October 21, 2010
- 年：2010
- 卷：114
- 期：41
- 页码：13249-13254
- 全文大小：468K
- 年卷期：v.114,no.41(October 21, 2010)
- ISSN：1520-5207
文摘
In an effort to provide insight into the mechanism of Cap>2+ p>-induced fusion of lipid vesicles, molecular dynamics simulations in the isobaric−isothermal ensemble are used to investigate interactions of Cap>2+ p> with apposed lipid bilayers in close proximity. Simulations reveal the formation of a Cap>2+ p>−phospholipid “anhydrous complex” between apposed bilayers, whereas similar calculations performed with Nap>+ p> display only complexation between neighboring lipids within the same bilayer. The binding of Cap>2+ p> to apposed phospholipids brings large regions of the bilayers into close contact (<4 Å), displacing water from phospholipid head groups in the process and creating regions of local dehydration. Dehydration of the apposed bilayers leads to ordering of the phospholipid tails, which is partially disrupted by the presence of Cap>2+ p>-phospholipid bridges.