蛋白质表面上的电荷分布决定了形成生产性复合体还是徒劳的复合体,Biochemistry

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蛋白质表面上的电荷分布决定了形成生产性复合体还是徒劳的复合体
Biochemistry ( IF 2.9 ) Pub Date : 2021-03-01 , DOI: 10.1021/acs.biochem.1c00021
Antonella Di Savino ₁ , Johannes M Foerster ₂ , G Matthias Ullmann ₂ , Marcellus Ubbink ₁

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蛋白质复合物的形成很大程度上取决于静电相互作用。氧化还原蛋白表面电荷的分布通常通过进化来优化，以指导识别和结合。测试细胞色素c过氧化物酶（CcP）和细胞色素c之间的静电相互作用的程度（Cc）进行了优化，我们产生了五个CcP变体，每个变体在表面上都有不同的电荷分布。蒙特卡洛模拟显示，负电荷的添加将Cc吸引到新的贴片上，而中和Cc的规则立体定向结合位点中的电荷则完全消除了该区域中的静电相互作用。对于具有在常规结合位点上完整的电荷的CcP变体，尽管破坏了优化的电荷分布，其他负片也略微增强了生产性复合物的形成。即使在表面上其他地方存在高度负性的斑点，规则结合位点上电荷的去除也会导致复合物形成速率的急剧下降。我们得出结论，额外的电荷补丁会导致生产性或徒劳的遭遇复合体，

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The Charge Distribution on a Protein Surface Determines Whether Productive or Futile Encounter Complexes Are Formed

Protein complex formation depends strongly on electrostatic interactions. The distribution of charges on the surface of redox proteins is often optimized by evolution to guide recognition and binding. To test the degree to which the electrostatic interactions between cytochrome c peroxidase (CcP) and cytochrome c (Cc) are optimized, we produced five CcP variants, each with a different charge distribution on the surface. Monte Carlo simulations show that the addition of negative charges attracts Cc to the new patches, and the neutralization of the charges in the regular, stereospecific binding site for Cc abolishes the electrostatic interactions in that region entirely. For CcP variants with the charges in the regular binding site intact, additional negative patches slightly enhance productive complex formation, despite disrupting the optimized charge distribution. Removal of the charges in the regular binding site results in a dramatic decrease in the complex formation rate, even in the presence of highly negative patches elsewhere on the surface. We conclude that additional charge patches can result in either productive or futile encounter complexes, depending on whether negative residues are located also in the regular binding site.

更新日期：2021-03-16

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