Krüger J, Fischer W B
Institute of Biophotonics, School of Medical Science and Engineering, National Yang-Ming University, 155, Section 2, Li-Nong Street, Taipei 112, Taiwan.
J Chem Theory Comput. 2009 Sep 8;5(9):2503-13. doi: 10.1021/ct900185n.
The generation of computational models is an alternative route to obtain reliable structures for the oligomeric state of membrane proteins. A strategy has been developed to search the conformational space of all possible assemblies in a reasonable time, taking symmetry considerations into account. The methodology tested on M2 from influenza A, shows an excellent agreement with established structures. For Vpu from HIV-1 a series of conformational distinct structures are proposed. For the first time a structural model for a fully assembled transmembrane part of 3a from SARS-CoV is proposed.
计算模型的生成是获得膜蛋白寡聚体状态可靠结构的另一种途径。已经开发出一种策略,在考虑对称性的情况下,能在合理时间内搜索所有可能组装体的构象空间。在甲型流感病毒的M2蛋白上测试的方法与已确立的结构显示出极佳的一致性。对于HIV-1的Vpu蛋白,提出了一系列构象不同的结构。首次提出了严重急性呼吸综合征冠状病毒3a蛋白完全组装的跨膜部分的结构模型。