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首页> 外文期刊>Biochemistry >Peripheral Binding Mode and Penetration Depth of Cobra Cardiotoxin on Phospholipid Membranes as Studied by a Combined FTIR and Computer Simulation Approach.
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Peripheral Binding Mode and Penetration Depth of Cobra Cardiotoxin on Phospholipid Membranes as Studied by a Combined FTIR and Computer Simulation Approach.

机译：结合红外光谱和计算机模拟方法研究眼镜蛇心毒素在磷脂膜上的外周结合模式和穿透深度。

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Cobra cardiotoxin, a cytotoxic beta-sheet basic polypeptide, is known to cause membrane leakage in many cells including human erythrocytes. Herein, we demonstrate that the major cobra cardiotoxin from Naja atra, CTX A3, can cause leakage of vesicle contents in phosphatidylglycerol (PG) and phosphatidylserine containing, but not in pure phosphatidylcholine (PC), membrane bilayers. By the combined polarized attenuated total reflection infrared spectroscopy and computer simulation studies, CTX A3 is shown to peripherally bind to both zwitterionic and anionic monolayers in a similar edgewise manner with a tilted angle of approximately 48 +/- 20 degrees between the beta-sheet plane of the CTX molecule and the normal of the membrane surface. The average surface area expansion induced by CTX A3 binding to the PG monolayer, however, is two times larger than that of the PC monolayer as determined by the Langmuir minitrough method. Interaction energy considerations of CTX A3 on neutral and negatively charged membrane surfaces suggests that the electrostatic interaction between anionic lipid and cationic CTXs plays a role in modulating the penetration depth of CTX molecules on the initial peripheral binding mode and reveals a pathway leading to the formation of an inserted mode in negatively charged membrane bilayers.
机译：眼镜蛇心毒素，一种细胞毒性的β-折叠碱性多肽，已知会引起包括人类红细胞在内的许多细胞的膜泄漏。在本文中，我们证明了来自眼镜蛇的主要眼镜蛇心脏毒素CTX A3会导致含有磷脂酰甘油（PG）和含有磷脂酰丝氨酸的膜双层中囊泡内容物的渗漏，但不引起膜双层的囊泡内容物泄漏。通过组合的偏振衰减全反射红外光谱法和计算机模拟研究，表明CTX A3以相似的边沿方式在两性离子和阴离子单分子层上外围结合，β-折叠平面之间的倾斜角约为48 +/- 20度CTX分子的垂直方向和膜表面的法线方向。但是，由CTX A3结合到PG单层所诱导的平均表面积膨胀，比通过Langmuir微型槽法测定的PC单层的平均表面积膨胀大两倍。 CTX A3在中性和带负电荷的膜表面上的相互作用能考虑表明，阴离子脂质和阳离子CTX之间的静电相互作用在调节CTX分子在初始外围结合模式上的渗透深度方面发挥着作用，并揭示了导致CTX A3形成的途径。带负电的膜双层中的插入模式。

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