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首页> 外文期刊>Journal of Biomolecular Structure and Dynamics >Non-symmetrical structural behavior of a symmetric protein: the case of homo-trimeric TRAF2 (tumor necrosis factor-receptor associated factor 2)
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Non-symmetrical structural behavior of a symmetric protein: the case of homo-trimeric TRAF2 (tumor necrosis factor-receptor associated factor 2)

机译：对称蛋白的非对称结构行为：均匀三聚体Traf2的情况（肿瘤坏死因子受体相关因子2）

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摘要

The oligomeric state of TRAF2 (tumor necrosis factor-receptor associated factor 2), a TNF (tumor necrosis factor) receptor-associated factor, is crucial for membrane binding and probably plays a fundamental role in regulating the protein function in vivo. In this study we have combined molecular dynamics with the protein contact network approach to characterize the interaction of the three identical subunits of TRAF2. The average structure obtained after a 225 ns simulation reveals that two clusters of different size are formed, one of which includes almost completely two subunits, while the third monomer appears to be more independent. This picture is also confirmed by the estimated average number of inter-subunit contacts and by the comparison of side chains mobility in each monomer. The analysis of equilibrium pressure-induced dissociation measurements supports such findings, indicating that the dimeric-monomeric (2 + 1) might be prevalent with respect to the trimeric configuration, especially in the case of more diluted samples. These findings suggest that the formation of monomeric species, which is crucial for the formation of intra-luminal vesicles, might depend on preferential asymmetric interactions among the three subunits. Communicated by Ramaswamy H. Sarma
机译：TRAF2（肿瘤坏死因子受体相关因子2）是一种TNF（肿瘤坏死因子）受体相关因子，其寡聚状态对膜结合至关重要，可能在体内调节蛋白质功能中起着基础性作用。在这项研究中，我们将分子动力学与蛋白质接触网络方法相结合，以表征TRAF2的三个相同亚基之间的相互作用。225ns模拟后得到的平均结构表明，形成了两个大小不同的团簇，其中一个几乎完全包含两个亚基，而第三个单体似乎更独立。这张照片也被估计的亚单位间接触的平均数量和每个单体中侧链迁移率的比较所证实。平衡压力诱导离解测量的分析支持了这些发现，表明二聚体单体（2+1）可能在三聚体构型中普遍存在，尤其是在稀释程度更高的样品中。这些发现表明，对于管腔内小泡的形成至关重要的单体物种的形成可能取决于三个亚单位之间的优先不对称相互作用。由拉玛斯瓦米·H·萨尔玛传达

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