基于深度学习算法的易于使用的三维蛋白质结构预测在线平台“DPL3D”。

IF 2.7 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY
Yunlong Gao , He Wang , Jiapeng Zhou , Yan Yang
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引用次数: 0

摘要

蛋白质三维结构的变化可以影响其自身功能或与其他蛋白质的相互作用,从而可能导致疾病。基因突变,尤其是错义突变,是蛋白质结构改变的主要原因。由于缺乏蛋白质晶体结构数据,大约四分之三的人类突变蛋白无法预测或准确预测,错义突变的致病性只能通过进化保守性间接评估。近年来,许多计算方法已经发展到预测蛋白质的三维结构,其精度与实验相当。这一进展使结构生物学的信息能够被临床医生进一步利用。因此,我们开发了一个名为DPL3D (http://nsbio.tech:3000)的用户友好平台,可以预测和可视化突变蛋白的3D结构。同时下载蛋白质的晶体结构等信息,软件包括AlphaFold 2、RoseTTAFold、RoseTTAFold All-Atom、trRosettaX-Single。我们实现了210,180个分子结构的查询模块,其中包括52,248个人类蛋白质。通过LiteMol可以自动或手动、交互式地生成蛋白质二维(2D)和三维结构预测的可视化。该平台将允许用户方便、快速地检索生物发现所需的大规模结构信息。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

An easy-to-use three-dimensional protein-structure-prediction online platform "DPL3D" based on deep learning algorithms

An easy-to-use three-dimensional protein-structure-prediction online platform "DPL3D" based on deep learning algorithms
The change in the three-dimensional (3D) structure of a protein can affect its own function or interaction with other protein(s), which may lead to disease(s). Gene mutations, especially missense mutations, are the main cause of changes in protein structure. Due to the lack of protein crystal structure data, about three-quarters of human mutant proteins cannot be predicted or accurately predicted, and the pathogenicity of missense mutations can only be indirectly evaluated by evolutionary conservation. Recently, many computational methods have been developed to predict protein 3D structures with accuracy comparable to experiments. This progress enables the information of structural biology to be further utilized by clinicians. Thus, we developed a user-friendly platform named DPL3D (http://nsbio.tech:3000) which can predict and visualize the 3D structure of mutant proteins. The crystal structure and other information of proteins were downloaded together with the software including AlphaFold 2, RoseTTAFold, RoseTTAFold All-Atom, and trRosettaX-Single. We implemented a query module for 210,180 molecular structures, including 52,248 human proteins. Visualization of protein two-dimensional (2D) and 3D structure prediction can be generated via LiteMol automatically or manually and interactively. This platform will allow users to easily and quickly retrieve large-scale structural information for biological discovery.
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来源期刊
CiteScore
4.60
自引率
0.00%
发文量
33
审稿时长
104 days
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