Sarai A, Gromiha M M, An J, Prabakaran P, Selvaraj S, Kono H, Oobatake M, Uedaira H
RIKEN Tsukuba Institute, 3-1-1 Koyadai, Ibaraki 305-0074, Japan.
Biopolymers. 2001;61(2):121-6. doi: 10.1002/1097-0282(2002)61:2<121::AID-BIP10077>3.0.CO;2-1.
Thermodynamic data regarding proteins and their interactions are important for understanding the mechanisms of protein folding, protein stability, and molecular recognition. Although there are several structural databases available for proteins and their complexes with other molecules, databases for experimental thermodynamic data on protein stability and interactions are rather scarce. Thus, we have developed two electronically accessible thermodynamic databases. ProTherm, Thermodynamic Database for Proteins and Mutants, contains numerical data of several thermodynamic parameters of protein stability, experimental methods and conditions, along with structural, functional, and literature information. ProNIT, Thermodynamic Database for Protein-Nucleic Acid Interactions, contains thermodynamic data for protein-nucleic acid binding, experimental conditions, structural information of proteins, nucleic acids and the complex, and literature information. These data have been incorporated into 3DinSight, an integrated database for structure, function, and properties of biomolecules. A WWW interface allows users to search for data based on various conditions, with different display and sorting options, and to visualize molecular structures and their interactions. These thermodynamic databases, together with structural databases, help researchers gain insight into the relationship among structure, function, and thermodynamics of proteins and their interactions, and will become useful resources for studying proteins in the postgenomic era.
有关蛋白质及其相互作用的热力学数据对于理解蛋白质折叠、蛋白质稳定性和分子识别机制至关重要。尽管有几个可用于蛋白质及其与其他分子复合物的结构数据库，但关于蛋白质稳定性和相互作用的实验热力学数据的数据库却相当稀少。因此，我们开发了两个电子可访问的热力学数据库。ProTherm，即蛋白质和突变体热力学数据库，包含蛋白质稳定性的几个热力学参数的数值数据、实验方法和条件，以及结构、功能和文献信息。ProNIT，即蛋白质 - 核酸相互作用热力学数据库，包含蛋白质 - 核酸结合的热力学数据、实验条件、蛋白质、核酸及其复合物的结构信息以及文献信息。这些数据已被纳入3DinSight，一个生物分子结构、功能和性质的综合数据库。一个万维网界面允许用户根据各种条件搜索数据，有不同的显示和排序选项，并可视化分子结构及其相互作用。这些热力学数据库与结构数据库一起，帮助研究人员深入了解蛋白质及其相互作用的结构、功能和热力学之间的关系，并将成为后基因组时代研究蛋白质的有用资源。
