************第34回尾張コンプレックスセミナー*************      Title : Conformational changes and fluctuations of molecular switch  Speaker :  Chigusa Kobayashi Affiliation:Saito Lab., Institute for Molecular Science Date : Th. Nov. 19th, 1:30pm (Almost one hour) Place : Room 616, Graduate School of Information Science Abstract: Ras superfamily is known well as signal transduction protein. Ras is activated by binding of GTP and binds to effectors for the signal trunsduction related to the regulation of cell proliferation. It is inactivated by the hydrolysis of GTP. The GTPase activity is enhanced by the binding of GTPase activating protein,GAP. X-ray crystallography has revealed conformational changes in two regions, called switch regions, around a nucleotide binding site along the reaction. It is also experimentally known that there are two distinct states in the GTP-bound Ras, state 1 and state 2. State 2 is an active state for the cell growth, while state 1 has a low affinity to the effectors for the cell growth. In this study, we investigate the conformational changes and fluctuations of the switch regions in GTP-, i.e. states 1 and 2, and GDP-bound states by using MD simulation. We also investigate the structure and fluctuation in the GAP-GTP-bound state and the role of the binding of GAP. ***********************************************************