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Biophys J, July 2001, p. 217-224, Vol. 81, No. 1

Fast Lipid Disorientation at the Onset of Membrane Fusion Revealed by Molecular Dynamics Simulations

Satoko Ohta-Iino,* Marta Pasenkiewicz-Gierula,dagger Dagger Yuji Takaoka,Dagger Hiroh Miyagawa,Dagger Kunihiro Kitamura,Dagger and Akihiro Kusumi*§

 *Kusumi Membrane Organizer Project, ERATO, JST, Nagoya 460-0012, Japan;  dagger Department of Biophysics, Institute of Molecular Biology, Jagiellonian University, Krakow, Poland;  Dagger Department of Molecular Science, Research Center, Taisho Pharmaceutical Co. Ltd., Omiya, Saitama 330-8530, Japan; and  §Department of Biological Science, Graduate School of Science, Nagoya University, Nagoya 464-8602, Japan

Membrane fusion is a key event in vesicular trafficking in every cell, and many fusion-related proteins have been identified. However, how the actual fusion event occurs has not been elucidated. By using molecular dynamics simulations we found that when even a small region of two membranes is closely apposed such that only a limited number of water molecules remain in the apposed area (e.g., by a fusogenic protein and thermal membrane fluctuations), dramatic lipid disorientation results within 100 ps-2 ns, which might initiate membrane fusion. Up to 12% of phospholipid molecules in the apposing layers had their alkyl chains outside the hydrophobic region, lying almost parallel to the membrane surface or protruding out of the bilayer by 2 ns after two membranes were closely apposed.

Biophys J, July 2001, p. 217-224, Vol. 81, No. 1
© 2001 by the Biophysical Society   0006-3495/01/07/217/08  $2.00



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