A Rapid Analysis System of Protein Crystal Structures

蛋白质晶体结构快速分析系统

• 批准号: 01880019
• 负责人: NAKAMURA Kazuo
• 金额: $ 2.94万
• 依托单位: Nagaoka University of Technology (1990)The University of Tokyo (1989)
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Developmental Scientific Research (B).
• 财政年份: 1989
• 资助国家: 日本
• 起止时间: 1989 至 1990
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-01880019/
• 关键词: Molecular graphics; Protein; Three-dimensional structure; X-ray analysis; Refinement; Molecular graphics; Protein; Three-dimensional structure; X-ray analysis; Refinement

1. After a personal IRIS graphics workstation was introduced into our laboratory, we checked its graphic and arithmetic performances at first. In result, we found that it has enough performance to realize the object of this project. Then we adapted the TOM program, a graphics fitting program for macromolecules originally coded by Cambillau (1987), to the Personal IRIS workstation. 2. Using a mainframe computer, we optimized thoroughly the stereochemically restrained least-squares refinement program PROLSQ (Hendrickson and Konnert, 1980) modified by us so that the execution time might become as short as possible. After the optimization we adapted the PROLSQ program to the Personal IRIS workstation, and improved the interface between the PROLSQ and TOM programs so that crystallographers might refine protein structures easily and quickly. 3. In order to see if this refinement system works well, we refined the crystal structure of the complex between microbial ribonuclease Ms and its inhibitor, 3'-guanylic acid, using the system. Its coarse atomic coordinates had been obtained by molecular replacement methods. The refinement system worked quite efficiently. It is the proof of the efficiency of the refinement system that for the past only one year we have finished refining seven kinds of protein structures, (1) RNase Ms*3'-GMP complex (2) Subtilisin-SSI complex (3) RNase Ms*2'-GMP complex (4) RNase Ms*GfpC complex (5) Trypsin-SSI complex (6) Interferon-beta and (7) RNase Rh, using this refinement system.

1。在将个人IRIS图形工作站引入我们的实验室之后，我们首先检查了其图形和算术性能。因此，我们发现它具有足够的性能来实现该项目的对象。然后，我们改编了Tom程序，这是一个最初由Cambillau（1987）编码的大分子的图形拟合程序，用于个人IRIS工作站。 2。使用大型计算机，我们对立体化学上最小二乘的精炼计划ProLSQ（Hendrickson and Konnert，1980）进行了彻底优化，以使执行时间尽可能短。优化后，我们将ProLSQ程序调整为个人IRIS工作站，并改进了ProLSQ和TOM程序之间的接口，以便晶体学者可以轻松，快速地完善蛋白质结构。 3。为了查看此改进系统是否效果很好，我们使用该系统完善了微生物核糖核酸酶MS及其抑制剂3'-瓜尼酸酯之间的晶体结构。它的粗原子坐标是通过分子替代方法获得的。改进系统的运作效率很高。 It is the proof of the efficiency of the refinement system that for the past only one year we have finished refining seven kinds of protein structures, (1) RNase Ms*3'-GMP complex (2) Subtilisin-SSI complex (3) RNase Ms*2'-GMP complex (4) RNase Ms*GfpC complex (5) Trypsin-SSI complex (6) Interferon-beta and (7) RNase Rh, using this改进系统。