| CDC25B与CDK2/Cyclin A蛋白相互作用研究 |
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| 引用本文： | 陈秀博,晋文燕,吴晓辉,马英. CDC25B与CDK2/Cyclin A蛋白相互作用研究[J]. 天津医科大学学报, 2018, 0(3): 197-200,204 |
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| 作者姓名： | 陈秀博 晋文燕 吴晓辉 马英 |
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| 作者单位： | 天津医科大学药学院，天津市临床药物关键技术重点实验室，天津300070 |
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| 摘 要： | 目的:研究双特异性蛋白磷酸酶B（CDC25B）与细胞周期素 A(Cyclin A)和细胞周期素依赖性激酶2（CDK2）蛋白发生相互作用的结构基础。方法:应用Discovery Studio (DS) v3.5中的ZDOCK模块对CDC25B与CDK2/Cyclin A蛋白进行对接。应用“Analyze Protein Interface”模块计算CDC25B蛋白和CDK2/Cyclin A蛋白的溶剂可及表面积（SAS）并分析CDC25B蛋白和CDK2/Cyclin A蛋白相互作用界面的关键氨基酸残基。应用“Calculate Interaction Energy”模块计算 CDC25B蛋白和CDK2/Cyclin A蛋白相互作用界面处的关键氨基酸残基间的相互作用能。结果:对pose 1的疏水相互作用、氢键相互作用、相互作用能进行计算分析，预测得到CDC25B-CDK2/Cyclin A复合物的结合模式及起相互作用的氨基酸残基（CDC25B: GLY380，TYR382， ARG485, ARG488，GLU489，ARG490，ARG492，TYR497；CDK2/Cyclin A:THR165, TRP167，ASP206，SER207，ASP210, PHE213）。结论:该结果为今后深入研究 CDC25B通路和发挥协同刺激作用的信号体系以及基于该信号途径新型分子靶向药物的设计提供了理论基础。
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| 关 键 词： | CDC25B CDK2/Cyclin A 蛋白-蛋白对接 关键氨基酸 |
Study on the interaction between CDC25B and CDK2/Cyclin A |
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| CHEN Xiu-bo,JIN Wen-yan,WU Xiao-hui,MA-Ying. Study on the interaction between CDC25B and CDK2/Cyclin A[J]. Journal of Tianjin Medical University, 2018, 0(3): 197-200,204 |
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| Authors: | CHEN Xiu-bo JIN Wen-yan WU Xiao-hui MA-Ying |
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| Affiliation: | School of Pharmacy, Tianjin Medical University, Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics, Tianjin 300070, China |
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| Abstract: | Objective: To explore the protein-protein interactions between the cell division cyclin 25 B (CDC25B) and Cyclin A and cyclin-dependent kinase 2(CDK2). Methods: The docking analysis of CDC25B andCDK2/Cyclin A was performed using the protein-protein docking algorithm ZDOCK embed in Discovery Studio(DS) v3.5 and the theoretical binding domain between them was predicted. The SAS and the interface of CDC25B and CDK2/Cyclin A were calculated by the “Analyze Protein Interface” algorithm. The key residues and the interaction energy of the interface of the two proteins were also calculated by the “Calculate Interaction Energy”. Results: Protein-protein interaction analysis of pose1 including hydrophobic interaction, H-bond interaction and interaction energy discovered the binding model of CDC25B and CDK2/Cyclin A and the key residues played an important role in stabilizing the complex(CDC25B: GLY380, TYR382, ARG485, ARG488, GLU489, ARG490, ARG492, and TYR497; CDK2/Cyclin A: THR165, TRP167, ASP206, SER207, ASP210, PHE213). Conclusion: The data presented in the paper are essential not only for the in-depth study of the co-stimulatory signaling mechanism of CDC25B pathway but also for the development of cancer therapeutics targeting CDC25B. |
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| Keywords: | CDC25B CDK2/Cyclin A protein-protein docking key residues |
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