Kanou Kazuhiko, Hirata Tomoko, Iwadate Mitsuo, Terashi Genki, Umeyama Hideaki, Takeda-Shitaka Mayuko
School of Pharmacy, Kitasato University, Tokyo, Japan.
Chem Pharm Bull (Tokyo). 2010 Jan;58(1):66-75. doi: 10.1248/cpb.58.66.
Almost all proteins express their biological functions through the structural conformation of their specific amino acid sequences. Therefore, acquiring the three-dimensional structures of proteins is very important to elucidate the role of a particular protein. We had built protein structure model databases, which is called RIKEN FAMSBASE (http://famshelp.gsc.riken.jp/famsbase/). The RIKEN FAMSBASE is a genome-wide protein structure model database that contains a large number of protein models from many organisms. The HUMAN FAMSBASE that is one part of the RIKEN FAMSBASE contains many protein models for human genes, which are significant in the pharmaceutical and medicinal fields. We have now implemented an update of the human protein modeling database consisting of 242918 constructed models against the number of 20743 human protein sequences with an improved modeling method called Full Automatic protein Modeling System Developed (FAMSD). The results of our benchmark test of the FAMSD method indicated that it has an excellent capability to pack amino acid side-chains with correct torsion angles in addition to the main-chain, while avoiding the formation of atom-atom collisions that are not found in experimental structures. This new protein structure model database for human genes, which is named HUMAN FAMSD-BASE, is open to the public as a component part of the RIKEN FAMSBASE at http://mammalia.gsc.riken.jp/human_famsd/. A significant improvement of the HUMAN FAMSD-BASE in comparison with the preceding HUMAN FAMSBASE was verified in the benchmark test of this paper. The HUMAN FAMSD-BASE will have an important impact on the progress of biological science.
几乎所有蛋白质都通过其特定氨基酸序列的结构构象来表达生物学功能。因此,获取蛋白质的三维结构对于阐明特定蛋白质的作用非常重要。我们构建了蛋白质结构模型数据库,称为理化学研究所FAMSBASE(http://famshelp.gsc.riken.jp/famsbase/)。理化学研究所FAMSBASE是一个全基因组蛋白质结构模型数据库,包含来自许多生物体的大量蛋白质模型。作为理化学研究所FAMSBASE一部分的人类FAMSBASE包含许多人类基因的蛋白质模型,这些模型在制药和医学领域具有重要意义。我们现在已经使用一种名为全自动蛋白质建模系统开发(FAMSD)的改进建模方法,对由242,918个构建模型组成的人类蛋白质建模数据库进行了更新,该数据库对应20,743个人类蛋白质序列。我们对FAMSD方法的基准测试结果表明,除了主链外,它具有以正确扭转角堆积氨基酸侧链的出色能力,同时避免形成实验结构中未发现的原子-原子碰撞。这个新的人类基因蛋白质结构模型数据库,名为人类FAMSD-BASE,作为理化学研究所FAMSBASE的一个组成部分在http://mammalia.gsc.riken.jp/human_famsd/向公众开放。在本文的基准测试中验证了人类FAMSD-BASE与之前的人类FAMSBASE相比有显著改进。人类FAMSD-BASE将对生物科学的进展产生重要影响。