四元复合物“嗜热栖热菌外切聚合酶 - DNA - dCTP - 金属阳离子”的分子对接模拟数据。
Data on molecular docking simulations of quaternary complexes 'Bst exo- polymerase-DNA-dCTP-metal cations'.
作者信息
Garafutdinov Ravil R, Kupova Olga Yu, Gilvanov Aidar R, Sakhabutdinova Assol R
机构信息
Institute of Biochemistry and Genetics, Ufa Federal Research Center of the Russian Academy of Sciences, Ufa, Russia.
Ufa State Petroleum Technological University, Ufa, Russia.
出版信息
Data Brief. 2020 Nov 19;33:106549. doi: 10.1016/j.dib.2020.106549. eCollection 2020 Dec.
This article reports data related to the research article entitled "Effect of metal ions on isothermal amplification with Bst exo- DNA polymerase" (R.R. Garafutdinov, A.R. Gilvanov, O.Y. Kupova, A.R. Sakhabutdinova, 2020) [1]. Here, the results of molecular simulations of the complexes of Bst exo- DNA polymerase with dCTP triphosphate, double-stranded DNA and divalent metal cations are presented. Energetic parameters, number and type of chemical bonds formed by dCTP with the environment are given.
本文报道了与题为《金属离子对Bst exo-DNA聚合酶等温扩增的影响》（R.R.加拉富季诺夫、A.R.吉尔瓦诺夫、O.Y.库波娃、A.R.萨哈布季诺娃，2020年）[1]的研究文章相关的数据。此处展示了Bst exo-DNA聚合酶与三磷酸dCTP、双链DNA和二价金属阳离子复合物的分子模拟结果。给出了dCTP与周围环境形成的化学键的能量参数、数量和类型。
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