人甘氨酸受体(TM23-GlyR)两个跨膜结构域与脂质双层相互作用的分子观察

IF 1.4 Q3 CHEMISTRY, MULTIDISCIPLINARY
F. Hamedi, D. Mohammad-Aghaie
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引用次数: 0

摘要

MD模拟看起来像一种计算显微镜,可以“放大”到原子分辨率,以评估膜蛋白与其周围脂质的详细相互作用,这些脂质在这些蛋白质的稳定性和功能中发挥着重要作用。本研究采用分子动力学(MD)模拟,确定添加DMPC或DMTAP分子对DPPC双层结构的影响,并表征TM23-GlyR(甘氨酸受体的第二和第三跨膜结构域)与纯脂质双层和混合脂质双层的相互作用。DPPC双层的结构性质,即酰基链的顺序和每脂的面积,受到阳离子DMTAP和两性离子DMPC脂质的影响,其方式完全相反。在脂质分子和TM23-GlyR相互作用的情况下,阳离子DMTAP脂质对该蛋白质的结构性质显示出更大的影响。另一方面,TM23-GlyR由于正疏水失配导致脂质链顺序明显增加。总之,这项研究可以阐明脂质力场、链长、头群电荷和大小对脂蛋白相互作用的影响。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Molecular Insight into the Mutual Interactions of Two Transmembrane Domains of Human Glycine Receptor (TM23-GlyR), with the Lipid Bilayers
Appearing as a computational microscope, MD simulation can ‘zoom in’ to atomic resolution to assess detailed interactions of a membrane protein with its surrounding lipids, which play important roles in the stability and function of such proteins. This study has employed the molecular dynamics (MD) simulations, to determine the effect of added DMPC or DMTAP molecules on the structure of DPPC bilayer, and also to characterize the mutual interactions of TM23-GlyR (The second and third transmembrane domains of glycine receptor), with the pure and mixed lipid bilayers. Structural properties of DPPC bilayer, namely the order of acyl chains and the area per lipid, were affected by cationic DMTAP and zwitterionic DMPC lipids, in completely reverse ways. In the case of the mutual interactions of lipid molecules and TM23-GlyR, the cationic DMTAP lipids showed greater impact on the structural properties of this protein. On the other hand, TM23-GlyR caused clear increase in the lipid chain order, due to the positive hydrophobic mismatch. In total, this study could shed light on the effect of lipid force field, chain length, and the head group charge and size, on the lipid-protein interplay.
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来源期刊
Physical Chemistry Research
Physical Chemistry Research CHEMISTRY, MULTIDISCIPLINARY-
CiteScore
2.70
自引率
8.30%
发文量
18
期刊介绍: The motivation for this new journal is the tremendous increasing of useful articles in the field of Physical Chemistry and the related subjects in recent years, and the need of communication between Physical Chemists, Physicists and Biophysicists. We attempt to establish this fruitful communication and quick publication. High quality original papers in English dealing with experimental, theoretical and applied research related to physics and chemistry are welcomed. This journal accepts your report for publication as a regular article, review, and Letter. Review articles discussing specific areas of physical chemistry of current chemical or physical importance are also published. Subjects of Interest: Thermodynamics, Statistical Mechanics, Statistical Thermodynamics, Molecular Spectroscopy, Quantum Chemistry, Computational Chemistry, Physical Chemistry of Life Sciences, Surface Chemistry, Catalysis, Physical Chemistry of Electrochemistry, Kinetics, Nanochemistry and Nanophysics, Liquid Crystals, Ionic Liquid, Photochemistry, Experimental article of Physical chemistry. Mathematical Chemistry.
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