MechanoProDB:用于探索蛋白质机械特性的网络数据库。

IF 4.3 3区 材料科学 Q1 ENGINEERING, ELECTRICAL & ELECTRONIC ACS Applied Electronic Materials Pub Date : 2024-06-05 DOI:10.1093/database/baae047
Ismahene Mesbah, Bianca Habermann, Felix Rico
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引用次数: 0

摘要

蛋白质的机械稳定性对生物过程至关重要。要了解蛋白质的机械功能,就必须了解蛋白质的结构和机械特性。蛋白质力学通常是通过力谱实验和模拟来研究的,这些实验和模拟可探究展开相关蛋白质所需的力。虽然力谱实验和强迫蛋白质展开的定向分子动力学模拟方面的文献数据非常丰富,但这些信息非常分散,非专业人员很难获取。在此,我们介绍一种基于网络的新型数据库资源 MechanoProDB,用于收集和挖掘从实验和计算工作中获得的数据。MechanoProDB 提供了一个经过精心策划的广泛蛋白质资源库,其中包括肌肉蛋白、粘附分子和膜蛋白。该数据库收录了相关参数,这些参数有助于深入了解蛋白质的机械稳定性及其构象稳定性,如解折力、能谱参数和解折步骤的等高线长度。此外,它还为每种蛋白质的展开路径提供了直观的注释,使用户能够探索机械展开过程中的各个步骤。MechanoProDB 的用户友好界面使研究人员能够高效地浏览、搜索和下载与特定蛋白质折叠或实验条件相关的数据。用户可以使用数据库中集成的交互式工具(如 Mol*)将蛋白质结构可视化,并通过集成的绘图工具绘制可用数据。为了确保数据的质量和可靠性,我们对 MechanoProDB 目前提供的数据进行了仔细的人工验证和整理。此外,该数据库还提供了一个界面,使用户能够贡献新数据和注释,从而促进社区驱动的全面性。免费提供的 MechanoProDB 旨在通过提供独特的数据共享和分析平台,简化和加速机械生物学和生物物理学领域的研究。MechanoProDB 可在 https://mechanoprodb.ibdm.univ-amu.fr 免费获取。
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MechanoProDB: a web-based database for exploring the mechanical properties of proteins.

The mechanical stability of proteins is crucial for biological processes. To understand the mechanical functions of proteins, it is important to know the protein structure and mechanical properties. Protein mechanics is usually investigated through force spectroscopy experiments and simulations that probe the forces required to unfold the protein of interest. While there is a wealth of data in the literature on force spectroscopy experiments and steered molecular dynamics simulations of forced protein unfolding, this information is spread and difficult to access by non-experts. Here, we introduce MechanoProDB, a novel web-based database resource for collecting and mining data obtained from experimental and computational works. MechanoProDB provides a curated repository for a wide range of proteins, including muscle proteins, adhesion molecules and membrane proteins. The database incorporates relevant parameters that provide insights into the mechanical stability of proteins and their conformational stability such as the unfolding forces, energy landscape parameters and contour lengths of unfolding steps. Additionally, it provides intuitive annotations of the unfolding pathways of each protein, allowing users to explore the individual steps during mechanical unfolding. The user-friendly interface of MechanoProDB allows researchers to efficiently navigate, search and download data pertaining to specific protein folds or experimental conditions. Users can visualize protein structures using interactive tools integrated within the database, such as Mol*, and plot available data through integrated plotting tools. To ensure data quality and reliability, we have carefully manually verified and curated the data currently available on MechanoProDB. Furthermore, the database also features an interface that enables users to contribute new data and annotations, promoting community-driven comprehensiveness. The freely available MechanoProDB aims to streamline and accelerate research in the field of mechanobiology and biophysics by offering a unique platform for data sharing and analysis. MechanoProDB is freely available at https://mechanoprodb.ibdm.univ-amu.fr.

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