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Structural perturbations on huntingtin N17 domain during its folding on 2D-nanomaterials

机译:在2D-纳米材料上折叠期间亨廷汀N17结构域的结构扰动

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摘要

A globular protein's folded structure in its physiological environment is largely determined by its amino acid sequence. Recently, newly discovered transformer proteins as well as intrinsically disordered proteins may adopt the folding-upon-binding mechanism where their secondary structures are highly dependent on their binding partners. Due to the various applications of nanomaterials in biological sensors and potential wearable devices, it is important to discover possible conformational changes of proteins on nanomaterials. Here, through molecular dynamics simulations, we show that the first 17 residues of the huntingtin protein (HTT-N17) exhibit appreciable differences during its folding on 2D-nanomaterials, such as graphene and MoS2 nanosheets. Namely, the protein is disordered on the graphene surface but is helical on the MoS2 surface. Despite that the amphiphilic environment at the nanosheet-water interface promotes the folding of the amphipathic proteins (such as HTT-N17), competitions between protein-nanosheet and intra-protein interactions yield very different protein conformations. Therefore, as engineered binding partners, nanomaterials might significantly affect the structures of adsorbed proteins.
机译:在其生理环境中的球状蛋白质的折叠结构主要由其氨基酸序列决定。最近,新发现的变压器蛋白以及本质无序的蛋白质可以采用折叠的结合机构,其中它们的二级结构高度依赖于其结合伴侣。由于纳米材料在生物传感器和潜在可穿戴装置中的各种应用,重要的是发现纳米材料上可能的蛋白质的构象变化。在这里,通过分子动力学模拟,我们表明亨廷蛋白(HTT-N17)的前17个残基在其折叠上折叠在2D纳米材料(例如石墨烯和MOS2纳米晶片)期间表现出明显的差异。即,蛋白质在石墨烯表面上混乱,但在MOS2表面上是螺旋形的。尽管纳米蛋白水界面的两亲环境促进了两性蛋白质(如HTT-N17)的折叠,但蛋白质 - 纳米片和蛋白质内相互作用之间的竞争产生了非常不同的蛋白质构象。因此,作为工程化结合伴侣,纳米材料可能会显着影响吸附蛋白的结构。

著录项

  • 来源
    《Nanotechnology》 |2017年第35期|共7页
  • 作者单位

    IBM Corp TJ Watson Res Ctr 1101 Kitchawan Rd Yorktown Hts NY 10598 USA;

    Zhejiang Univ Inst Quantitat Biol Dept Phys Hangzhou 310027 Zhejiang Peoples R China;

    IBM Corp TJ Watson Res Ctr 1101 Kitchawan Rd Yorktown Hts NY 10598 USA;

    IBM Corp TJ Watson Res Ctr 1101 Kitchawan Rd Yorktown Hts NY 10598 USA;

  • 收录信息
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 特种结构材料;
  • 关键词

    huntingtin; N17; MoS2; graphene;

    机译:亨廷顿;n17;mos2;石墨烯;

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