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取决于温度的三甲基胺-氧化物诱导了物质P维度的形成

Carter Lantz¹, Zhenyu Xi¹, Robert L Rider¹

¹Department of Chemistry, Texas A&M University, College Station, Texas 77843, United States.

The journal of physical chemistry. B

|November 6, 2024

概括

三甲基胺N氧化物 (TMAO) 通过与其C端相互作用,促进物质P (SP) 在冷溶液中的二元化. 这种效应对特定的残留方向敏感,并被尿素抑制.

科学领域:

生物化学生物化学
化学物理化学物理
分子生物学分子生物学

背景情况:

物质P (SP) 是一种神经,参与各种生理过程.
三甲基胺N氧化物 (TMAO) 是一种已知的溶解物,可以影响蛋白质结构和聚合.

研究的目的:

为了研究物质P (SP) 和三甲基胺N氧化物 (TMAO) 之间的相互作用.
阐明TMAO影响SP二聚化和寡聚化的机制.

主要方法:

低温离子移动性质谱学 (cryo-IM-MS) 是一种方法.
可变温度电喷射电离化质谱学 (vT-ESI-MS) 是一种可变温度电喷射电离化质谱学.
分子动力学 (MD) 模拟

主要成果:

在冷溶液中,TMAO促进了水合的SP二聚离子的形成,这种作用被尿素抑制.
由于TMAO与SP的疏水性C端相互作用,SP的二分化在较低的温度 (<298K) 上是有利的,因而减少了的惩罚.
模拟MD显示,TMAO降低了二分化自由能量屏障,单体通过键形成二分体.
由TMAO促进的寡合化对特定的SP残留物 (P2,P4,G9) 的cis/trans方向敏感.

结论:

TMAO在调节SP聚合中发挥着重要作用,特别是在较低的温度下.
相互作用机制涉及有利的结合到SP C-终端和稳定二次状态.
在TMAO中介的寡合化中,SP中的特定残留配置至关重要,这突显了形状的作用.

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