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SARS-CoV-2 相互作用组 3D:用于 SARS-CoV-2-人类模拟和相互作用的 3D 可视化和分析的 Web 界面。

SARS-CoV-2 Interactome 3D: A Web interface for 3D visualization and analysis of SARS-CoV-2-human mimicry and interactions.

机构信息

Department of Computer Engineering, Koc University, Bank AI Center, Istanbul 34450, Turkey.

Graduate School of Science and Engineering, Koc University, Bank AI Center, Istanbul 24450, Turkey.

出版信息

Bioinformatics. 2022 Feb 7;38(5):1455-1457. doi: 10.1093/bioinformatics/btab799.

Abstract

SUMMARY

We present a web-based server for navigating and visualizing possible interactions between SARS-CoV-2 and human host proteins. The interactions are obtained from HMI_Pred which relies on the rationale that virus proteins mimic host proteins. The structural alignment of the viral protein with one side of the human protein-protein interface determines the mimicry. The mimicked human proteins and predicted interactions, and the binding sites are presented. The user can choose one of the 18 SARS-CoV-2 protein structures and visualize the potential 3D complexes it forms with human proteins. The mimicked interface is also provided. The user can superimpose two interacting human proteins in order to see whether they bind to the same site or different sites on the viral protein. The server also tabulates all available mimicked interactions together with their match scores and number of aligned residues. This is the first server listing and cataloging all interactions between SARS-CoV-2 and human protein structures, enabled by our innovative interface mimicry strategy.

AVAILABILITY AND IMPLEMENTATION

The server is available at https://interactome.ku.edu.tr/sars/.

摘要

摘要

我们提供了一个基于网络的服务器,用于浏览和可视化 SARS-CoV-2 与人类宿主蛋白之间可能的相互作用。这些相互作用是从 HMI_Pred 获得的,该方法的基本原理是病毒蛋白模拟宿主蛋白。病毒蛋白与人类蛋白-蛋白界面一侧的结构对齐决定了模拟。呈现模拟的人类蛋白和预测的相互作用以及结合位点。用户可以选择 18 种 SARS-CoV-2 蛋白结构之一,并可视化其与人类蛋白形成的潜在 3D 复合物。还提供了模拟的接口。用户可以叠加两个相互作用的人类蛋白,以查看它们是否结合到病毒蛋白的相同或不同位点。该服务器还将所有可用的模拟相互作用及其匹配分数和对齐残基数制表列出。这是第一个列出和编目 SARS-CoV-2 与人类蛋白结构之间所有相互作用的服务器,这得益于我们创新的接口模拟策略。

可用性和实现

该服务器可在 https://interactome.ku.edu.tr/sars/ 访问。

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