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HSYMDOCK:一个用于预测具有 Cn 或 Dn 对称性的蛋白质同寡聚物结构的对接网络服务器。

HSYMDOCK: a docking web server for predicting the structure of protein homo-oligomers with Cn or Dn symmetry.

机构信息

Institute of Biophysics, School of Physics, Huazhong University of Science and Technology, Wuhan, Hubei 430074, China.

出版信息

Nucleic Acids Res. 2018 Jul 2;46(W1):W423-W431. doi: 10.1093/nar/gky398.

Abstract

A major subclass of protein-protein interactions is formed by homo-oligomers with certain symmetry. Therefore, computational modeling of the symmetric protein complexes is important for understanding the molecular mechanism of related biological processes. Although several symmetric docking algorithms have been developed for Cn symmetry, few docking servers have been proposed for Dn symmetry. Here, we present HSYMDOCK, a web server of our hierarchical symmetric docking algorithm that supports both Cn and Dn symmetry. The HSYMDOCK server was extensively evaluated on three benchmarks of symmetric protein complexes, including the 20 CASP11-CAPRI30 homo-oligomer targets, the symmetric docking benchmark of 213 Cn targets and 35 Dn targets, and a nonredundant test set of 55 transmembrane proteins. It was shown that HSYMDOCK obtained a significantly better performance than other similar docking algorithms. The server supports both sequence and structure inputs for the monomer/subunit. Users have an option to provide the symmetry type of the complex, or the server can predict the symmetry type automatically. The docking process is fast and on average consumes 10∼20 min for a docking job. The HSYMDOCK web server is available at http://huanglab.phys.hust.edu.cn/hsymdock/.

摘要

蛋白质-蛋白质相互作用的一个主要亚类是由具有一定对称性的同寡聚体形成的。因此,对称蛋白复合物的计算建模对于理解相关生物过程的分子机制非常重要。尽管已经开发了几种用于 Cn 对称的对称对接算法,但很少有对接服务器被提出用于 Dn 对称。在这里,我们提出了 HSYMDOCK,这是我们的层次对称对接算法的一个网络服务器,支持 Cn 和 Dn 对称。HSYMDOCK 服务器在三个对称蛋白复合物基准测试中进行了广泛评估,包括 20 个 CASP11-CAPRI30 同寡聚体靶标、213 个 Cn 靶标和 35 个 Dn 靶标以及 55 个跨膜蛋白的非冗余测试集。结果表明,HSYMDOCK 获得了比其他类似对接算法更好的性能。该服务器支持单体/亚基的序列和结构输入。用户可以选择提供复合物的对称类型,或者服务器可以自动预测对称类型。对接过程快速,平均每个对接作业消耗 10∼20 分钟。HSYMDOCK 网络服务器可在 http://huanglab.phys.hust.edu.cn/hsymdock/ 获得。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fcad/6030965/b24063e46964/gky398fig1.jpg

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