Hühne Rolf, Koch Frank-Thomas, Sühnel Jürgen
Biocomputing Group, Leibniz Institute for Age Research, Fritz Lipmann Institute (FLI), Jena Centre for Bioinformatics, Beutenbergstr 11, D-07745 Jena/Germany.
Brief Funct Genomic Proteomic. 2007 Sep;6(3):220-39. doi: 10.1093/bfgp/elm020. Epub 2007 Oct 23.
The rapidly increasing amount of information on three-dimensional (3D) structures of biological macro-molecules has still an insufficient impact on genome analysis, functional genomics and proteomics as well as on many other fields in biomedicine including disease-related research. There are, however, attempts to make structural data more easily accessible to the bench biologist. As members of the world-wide Protein Data Bank (wwPDB), the RCSB Protein Data Bank (PDB), the Protein Data Bank Japan and the Macromolecular Structure Database are the primary information resources for 3D structures of proteins, nucleic acids, carbohydrates and complexes thereof. In addition, a number of secondary resources have been set up that also provide information on all currently known structures in a relatively comprehensive manner and not focusing on specific features only. They include PDBsum, the OCA browser-database for protein structure/function, the Molecular Modeling Database and the Jena Library of Biological Macromolecules--JenaLib. Both the primary and secondary resources often merge the information in the PDB files with data from other resources and offer additional analysis tools thereby adding value to the original PDB data. Here, we briefly describe these resources from a user's point of view and from a comparative perspective. It is our aim to guide researchers outside the structure biology field in getting the most out of the 3D structure resources.
生物大分子三维(3D)结构方面迅速增长的信息量,对基因组分析、功能基因组学和蛋白质组学以及包括疾病相关研究在内的生物医学许多其他领域的影响仍然不足。然而,已经有人尝试让实验生物学家更容易获取结构数据。作为全球蛋白质数据库(wwPDB)的成员,美国结构生物信息学合作研究协会蛋白质数据库(PDB)、日本蛋白质数据库和大分子结构数据库是蛋白质、核酸、碳水化合物及其复合物三维结构的主要信息资源。此外,还建立了一些二级资源,它们也以相对全面的方式提供所有当前已知结构的信息,而不仅仅关注特定特征。它们包括PDBsum、用于蛋白质结构/功能的OCA浏览器数据库、分子模拟数据库和耶拿生物大分子库——JenaLib。主要资源和二级资源通常都将PDB文件中的信息与其他资源的数据合并,并提供额外的分析工具,从而为原始的PDB数据增加价值。在这里,我们从用户的角度和比较的视角简要描述这些资源。我们的目的是指导结构生物学领域以外的研究人员充分利用三维结构资源。