激光生物学报, 2005, 14 (1): 27, 网络出版: 2006-05-23
RasGAP作用下ras P21水解GTP的计算机模拟分析
Computer Simulation of ras P21 Hydrolyzing GTP under RasGAP's Catalysis
摘要
利用PDB(brookhavenproteindatabank)文库提供的晶体结构数据,从大分子的计算机三维模拟分析入手,分析了rasP21在RasGAP(GTPase-activatingproteinofRAS)作用下水解GTP的具体机制.对rasP21核苷酸结合口袋的微环境和rasP21在GTP水解过程中的结构变化进行了讨论.在分析rasP21空间三维结构的基础上,分析了催化水解过程中RasGAP的变化.讨论了对于RasGAP和rasP21的结合定位以及对水解过程中rasP21的Switch1的构象变化起重要作用的Lys949手指结构,并给出了rasP21在RasGAP催化下水解GTP的一个模型,其结果是进一步的变异分析的基础.
Abstract
Based upon the crystal structural data from PDB, The mechanism of ras P21 hydrolyzing GTP under RasGAP's catalysis is analyzed by computer simulation for macrobiomolecule. The environment of nucleotide-binding pocket and Structural change of ras P21 upon GTP hydrolysis are discussed. Based upon three-dimensional structural analysis of ras P21, RasGAP's structural change upon GTP hydrolysis is analyzed. The Lys949 finger is indicated that contributes much to the orientation and binding between RasGAP and ras P21 as well as Switch1's conformational change upon GTP hydrolysis. A model of ras P21 hydrolyzing GTP under RasGAP's catalysis is advanced and the analytic result is the basis of further mutation analysis.
贾振宁, 谢简, 汤斌, 张慧, 冯胜彦. RasGAP作用下ras P21水解GTP的计算机模拟分析[J]. 激光生物学报, 2005, 14(1): 27. 贾振宁, 谢简, 汤斌, 张慧, 冯胜彦. Computer Simulation of ras P21 Hydrolyzing GTP under RasGAP's Catalysis[J]. Acta Laser Biology Sinica, 2005, 14(1): 27.
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