PROTEIN DATA BANK--DATA EVALUATION STUDIES

本项目的目的是研究实验的效果。 平均误差和水晶包装等环境因素 固态蛋白质的几何构型。这项工作有望实现 提供对蛋白质分子环境的全面了解 水晶。属于资源技术的项目 与资源相关的研究项目的改进类别正在改进 蛋白质数据库(PDB)资源的质量和用途， 制定战略：a)发现并在可能的情况下纠正 存放在PDB中的蛋白质结构中可识别的错误：B)到 获得原子坐标的有用精度估计；以及c) 对重要的分子内和分子间非共价相互作用进行分类 以及它们对分子几何的影响。电脑 根据这项数据评估研究项目正在开发的代码是 集成到PDB使用的程序中以检查 每一个沉积的结构。临时局是国际公认的 生物大分子结构档案数据库，以及 提供此信息被保留并提供给 科学公众。晶体结构的结果对于 对许多生物过程有一个基本的了解 分子水平。PDB数据库在全球范围内中断，并被使用 在广泛的研究中，包括新的应用，如 蛋白质工程和合理的药物设计。

The objective of this project is to study the effects of experimental errors and environmental factors such as crystal packing on the average geometrics of proteins in the solid state. This work is expected to provide a comprehensive view of the environment of protein molecules in crystals. The project, which falls in the Resource Technology Improvement category of Resource-Related Research Projects, is improving the quality and utility of the Protein Data Bank (PDB) resource, by developing strategies: a) To detect, and if possible correct, identifiable errors in protein structures deposited in the PDB: b) To obtain useful estimates of precision for atomic coordinates; and c) To classify significant intra- and intermolecular non-covalent interactions in these structures and their effects on molecular geometry. Computer codes being developed under this data evaluation research project are being integrated into the programs that are used by the PDB to check each deposited structure. The PDB is the internationally recognized archival database for structures of biological macromolecules, and provides that this information is preserved and made available to the scientific public. Results from crystal structures are essential to development of a basic understanding of many biological processes on a molecular level. The PDB database is disrupted worldwide, and is used in a broad spectrum of research, including novel applications such as protein engineering and rational drug design.