THE STRUCTURE-FUNCTION LINKAGE DATABASE

这个子项目是许多利用资源的研究子项目之一 由NIH/NCRR资助的中心拨款提供。子项目的主要支持 而子项目的主要调查员可能是由其他来源提供的， 包括其它NIH来源。 列出的子项目总成本可能 代表子项目使用的中心基础设施的估计数量， 而不是由NCRR赠款提供给子项目或子项目工作人员的直接资金。 给定蛋白质的结构与其分子功能之间的关系可能相当复杂，但最近通过对酶超家族的研究已经阐明了一些基本原理。 生物计算，可视化和信息学资源（RBVI）和Babeland实验室正在开发SFLD（结构-功能链接数据库）数据库，以允许用户预测和设计酶功能的方式利用这些信息。 SFLD现在是一个由RBVI托管的网络访问数据库。目前支持的方法是允许用户使用蛋白质序列、关键字（匹配酶或反应名称）或使用SMILES字符串描述的反应、底物、产物或部分反应搜索数据库。用户可以使用简单的（即单击）方法使用Chimera可视化SFLD内的蛋白质结构。 一个允许SFLD的策展人输入和更新信息的网络界面最近已经实现，并被所有现任策展人使用。 2005年1月，在太平洋生物计算研讨会上提交了一份描述SFLD各个方面的文件。SFLD的知名度不断提高，这得益于一份广受欢迎的高知名度出版物（Biochemistry，2006 45（8）：2545-55）和多次会议上的演讲。这种增加的可见性引起了UCSF以外的多个研究人员的兴趣，他们希望使用SFLD作为他们自己的超家族信息的数据管理工具。未来工作的一个重点是开发工具和培训程序，以帮助这些研究人员利用SFLD进行自己的研究。 SFLD可在http://sfld.rbvi.ucsf.edu上向公众提供。

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. Primary support for the subproject and the subproject's principal investigator may have been provided by other sources, including other NIH sources. The Total Cost listed for the subproject likely represents the estimated amount of Center infrastructure utilized by the subproject, not direct funding provided by the NCRR grant to the subproject or subproject staff. The relationship between a given protein's structure and its molecular function can be quite complex, yet recently some of the fundamentals have been elucidated through the study of enzyme superfamilies. The Resource for Biocomputing, Visualization, and Informatics (RBVI) and the Babbitt lab are developing the SFLD (Structure-Function Linkage Database) database to leverage this information in a manner which will allow users to predict and engineer enzyme function. The SFLD is now a web-accessible database hosted by the RBVI. Currently supported are methods allowing users to search the database with a protein sequence, keyword (matching enzyme or reaction name), or with a reaction, substrate, product, or partial reaction as described by a SMILES string. Easy (i.e. single click) methods for users to visualize protein structures within the SFLD using Chimera are available. A web interface allowing curators of the SFLD to input and update information has recently be implemented, and is used by all current curators. A paper describing aspects of the SFLD was presented at the Pacific Symposium for Biocomputing in January 2005. The visibility of the SFLD continues to increase, aided by a very well-received, high-profile publication (Biochemistry, 2006 45(8):2545-55) and mutiple presentations at meetings. This increased visibility has drawn interest from multiple researchers outside UCSF who would like to use the SFLD as a data management tool for their own superfamily information. One focus of future work involves the development of tools and training procedures to aid these researchers in utilizing the SFLD for their own research purposes. The SFLD is available to the public at http://sfld.rbvi.ucsf.edu.