RCSB蛋白质数据库:通过对实验确定和计算预测的原子水平3D生物结构的探索,支持全球的研究和教育
Stephen K Burley1, Dennis W Piehl1, Brinda Vallat1
1Research Collaboratory for Structural Bioinformatics Protein Data Bank, Institute for Quantitative Biomedicine, Rutgers, The State University of New Jersey, Piscataway, NJ 08854, USA.
IUCrJ
|April 10, 2024
概括
蛋白质数据库 (PDB) 提供了超过21万个对生物学和医学至关重要的3D结构,包括对SARS-CoV-2流行病的洞察. 这种开放访问资源支持全球研究和药物发现工作.
科学领域:
- 结构生物学 结构生物学
- 生物信息学是一种生物信息学.
- 生物医学研究生物医学研究
背景情况:
- 蛋白质数据库 (PDB) 成立于1971年,是第一个在生物学和医学领域开放访问的数字数据资源.
- 最初包含七个X射线晶体结构,PDB现在包含超过21万个经过实验确定的生物分子3D结构.
研究的目的:
- 突出PDB作为科学进步的关键数据资源的作用.
- 强调PDB对理解基础生物学,生物医学及其在SARS-CoV-2大流行期间的重要性的贡献.
- 展示结构生物信息学蛋白质数据库研究实验室 (RCSB PDB) 网络门户网站的能力.
主要方法:
- 该PDB档案由结构生物信息蛋白数据库研究实验室 (RCSB PDB) 和全球蛋白数据库 (wwPDB) 合作伙伴关系共同管理.
- 世界各地的数据存储者 (结构生物学家) 贡献了经过实验确定的结构.
- 在RCSB.org门户网站上,可以访问PDB结构,计算结构模型 (CSM),比较数据和外部注释.
主要成果:
- 在PDB中,有超过21万个蛋白质,核酸及其复合物的原子级3D结构.
- 这些结构为基础生物学,生物医学,生物能源和生物技术提供了关键的见解.
- 此外,RCSB.org门户网站还提供了使用AI/ML方法生成的超过100万个计算结构模型 (CSM),并清楚地识别了来源和可靠性.
结论:
- PDB是结构生物学和相关领域不可或缺的,全球可访问的资源.
- 据悉,PDB档案确保了数据质量,完整性和开放访问,为全球数百万用户提供支持.
- RCSB.org通过整合结构数据与计算机模型和注释来提高数据的可访问性和实用性,促进研究和发现.
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