将二核苷酸与HIV-1整合酶羧基末端结构域对接以寻找可能的DNA结合位点。

Docking dinucleotides to HIV-1 integrase carboxyl-terminal domain to find possible DNA binding sites.

作者信息

Zhu Hai Mei, Chen Wei Zu, Wang Cun Xin

机构信息

College of Life Science and Bioengineering, Beijing University of Technology, Beijing 100022, China.

出版信息

Bioorg Med Chem Lett. 2005 Jan 17;15(2):475-7. doi: 10.1016/j.bmcl.2004.10.003.

DOI:10.1016/j.bmcl.2004.10.003

PMID:15603976

Abstract

HIV-1 integrase mediates a processed viral DNA into the host genome DNA. The binding modes between HIV-1 integrase and viral/host DNA have not been clarified until now. The C-terminal domain of integrase has been found to be a DNA-binding domain. In this work, we have explored the possible DNA binding sites of dimeric C-terminal domain by docking dinucleotides to HIV-1 integrase. The docking results suggest that two symmetrical DNA-binding sites are likely located on the outside surface of the dimeric C-terminal domain and not located in the groove. Those sites are in agreement with the experimental data.

摘要

HIV-1整合酶将经过加工的病毒DNA介导到宿主基因组DNA中。迄今为止，HIV-1整合酶与病毒/宿主DNA之间的结合模式尚未明确。已发现整合酶的C末端结构域是一个DNA结合结构域。在这项工作中，我们通过将二核苷酸对接至HIV-1整合酶，探索了二聚体C末端结构域可能的DNA结合位点。对接结果表明，两个对称的DNA结合位点可能位于二聚体C末端结构域的外表面，而非位于凹槽中。这些位点与实验数据相符。