BioDolphin是脂质-蛋白结合相互作用的综合数据库

IF 5.9 2区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Communications Chemistry Pub Date : 2024-12-04 DOI:10.1038/s42004-024-01384-z
Li-Yen Yang, Kaike Ping, Yunan Luo, Andrew C. McShan
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引用次数: 0

摘要

脂蛋白相互作用对活细胞中几乎所有的生物过程都至关重要。然而,关注这些相互作用的现有结构数据库仅限于整体膜蛋白。对各种脂质-蛋白相互作用的系统理解,包括脂质锚定、外周膜和可溶性脂质结合蛋白,仍有待阐明。为了解决这一差距并促进通用脂质-蛋白质组装的研究,我们开发了BioDolphin -一个包含超过127,000个脂质-蛋白质相互作用的数据库。BioDolphin提供全面的注释,包括蛋白质功能,蛋白质家族,脂质分类,脂质-蛋白质结合亲和力,膜结合类型和原子结构。通过一个公开可用的web服务器(www.biodolphin.chemistry.gatech.edu),用户可以使用广泛的选项有效地搜索脂质-蛋白质相互作用,并下载感兴趣的数据集。此外,BioDolphin还具有每个脂质-蛋白复合物的交互式3D可视化功能,有助于探索结构-功能关系。BioDolphin还包括关于脂质和蛋白质之间原子水平分子间相互作用的详细信息,可以对配对复合物和更大的组装进行大规模分析。作为一个开源资源,BioDolphin可以对脂质-蛋白质相互作用进行全局分析,并支持数据驱动的方法来开发预测脂质-蛋白质结合亲和力和结构的机器学习算法。脂质-蛋白相互作用对于活细胞中几乎所有的生物过程都是至关重要的,然而,目前缺乏涵盖广泛类型的脂质-蛋白相互作用的系统结构数据库。在这里,作者开发了BioDolphin,这是一个包含超过127,000个脂质-蛋白质相互作用的数据库,提供了详细的脂质-蛋白质复合物的全面注释。
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BioDolphin as a comprehensive database of lipid–protein binding interactions
Lipid-protein interactions are crucial for virtually all biological processes in living cells. However, existing structural databases focusing on these interactions are limited to integral membrane proteins. A systematic understanding of diverse lipid-protein interactions also encompassing lipid-anchored, peripheral membrane and soluble lipid binding proteins remains to be elucidated. To address this gap and facilitate the research of universal lipid-protein assemblies, we developed BioDolphin - a curated database with over 127,000 lipid-protein interactions. BioDolphin provides comprehensive annotations, including protein functions, protein families, lipid classifications, lipid-protein binding affinities, membrane association type, and atomic structures. Accessible via a publicly available web server ( www.biodolphin.chemistry.gatech.edu ), users can efficiently search for lipid-protein interactions using a wide range of options and download datasets of interest. Additionally, BioDolphin features interactive 3D visualization of each lipid-protein complex, facilitating the exploration of structure-function relationships. BioDolphin also includes detailed information on atomic-level intermolecular interactions between lipids and proteins that enable large scale analysis of both paired complexes and larger assemblies. As an open-source resource, BioDolphin enables global analysis of lipid-protein interactions and supports data-driven approaches for developing predictive machine learning algorithms for lipid-protein binding affinity and structures. Lipid–protein interactions are crucial for virtually all biological processes in living cells, however, systematic structural databases covering broad types of lipid–protein interaction are lacking. Here, the authors develop BioDolphin, a curated database with over 127,000 lipid–protein interactions, providing comprehensive annotations detailing lipid–protein complexes.
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来源期刊
Communications Chemistry
Communications Chemistry Chemistry-General Chemistry
CiteScore
7.70
自引率
1.70%
发文量
146
审稿时长
13 weeks
期刊介绍: Communications Chemistry is an open access journal from Nature Research publishing high-quality research, reviews and commentary in all areas of the chemical sciences. Research papers published by the journal represent significant advances bringing new chemical insight to a specialized area of research. We also aim to provide a community forum for issues of importance to all chemists, regardless of sub-discipline.
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