Dockground: The Resource Expands to Protein-RNA Interactome

IF 4.5 2区 生物学 Q1 BIOCHEMISTRY & MOLECULAR BIOLOGY Journal of Molecular Biology Pub Date : 2025-08-01 Epub Date: 2025-02-15 DOI:10.1016/j.jmb.2025.169014
Keeley W. Collins , Matthew M. Copeland , Petras J. Kundrotas , Ilya A. Vakser
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Abstract

RNA is a master regulator of cellular processes and will bind to many different proteins throughout its life cycle. Dysregulation of RNA and RNA-binding proteins can lead to various diseases, including cancer. To better understand molecular mechanisms of the cellular processes, it is important to characterize protein-RNA interactions at the structural level. There is a lack of experimental structures available for protein-RNA complexes due to the RNA inherent flexibility, which complicates the experimental structure determination. The scarcity of structures can be made up for with computational modeling. Dockground is a resource for development and benchmarking of structure-based modeling of protein interactions. It contains datasets focusing on different aspects of protein recognition. The foundation of all the datasets is the database of experimentally determined protein complexes, which previously contained only protein–protein assemblies. To further expand the utility of the Dockground resource, we extended the database to protein-RNA interactions. The new functionalities are available on the Dockground website at https://dockground.compbio.ku.edu/. The database can be searched using a number of criteria, including removal of redundancies at various sequence and structure similarity thresholds. The database updates with new structures from the Protein Data Bank on a weekly basis.

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背景:资源扩展到蛋白质- rna相互作用组。
RNA是细胞过程的主要调节剂,在其整个生命周期中将与许多不同的蛋白质结合。RNA和RNA结合蛋白的失调可导致多种疾病,包括癌症。为了更好地理解细胞过程的分子机制,在结构水平上表征蛋白质- rna相互作用是很重要的。由于RNA固有的灵活性,缺乏可用于蛋白质-RNA复合物的实验结构,这使得实验结构的确定变得复杂。结构的稀缺性可以通过计算建模来弥补。docground是开发和基于结构的蛋白质相互作用建模的基准资源。它包含关注蛋白质识别不同方面的数据集。所有数据集的基础是实验确定的蛋白质复合物数据库,以前只包含蛋白质-蛋白质组装。为了进一步扩展docground资源的效用,我们将数据库扩展到蛋白质- rna相互作用。新功能可在Dockground网站https://dockground.compbio.ku.edu/上获得。可以使用许多标准搜索数据库,包括在各种序列和结构相似性阈值处删除冗余。该数据库每周更新来自蛋白质数据库的新结构。
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来源期刊
Journal of Molecular Biology
Journal of Molecular Biology 生物-生化与分子生物学
CiteScore
11.30
自引率
1.80%
发文量
412
审稿时长
28 days
期刊介绍: Journal of Molecular Biology (JMB) provides high quality, comprehensive and broad coverage in all areas of molecular biology. The journal publishes original scientific research papers that provide mechanistic and functional insights and report a significant advance to the field. The journal encourages the submission of multidisciplinary studies that use complementary experimental and computational approaches to address challenging biological questions. Research areas include but are not limited to: Biomolecular interactions, signaling networks, systems biology; Cell cycle, cell growth, cell differentiation; Cell death, autophagy; Cell signaling and regulation; Chemical biology; Computational biology, in combination with experimental studies; DNA replication, repair, and recombination; Development, regenerative biology, mechanistic and functional studies of stem cells; Epigenetics, chromatin structure and function; Gene expression; Membrane processes, cell surface proteins and cell-cell interactions; Methodological advances, both experimental and theoretical, including databases; Microbiology, virology, and interactions with the host or environment; Microbiota mechanistic and functional studies; Nuclear organization; Post-translational modifications, proteomics; Processing and function of biologically important macromolecules and complexes; Molecular basis of disease; RNA processing, structure and functions of non-coding RNAs, transcription; Sorting, spatiotemporal organization, trafficking; Structural biology; Synthetic biology; Translation, protein folding, chaperones, protein degradation and quality control.
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