Midterm-Review Meeting

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Presentation transcript:

Midterm-Review Meeting Molecular Machines- Design and Nano-Scale Handling of Biological Antetypes and Artificial Mimics Work Package 6: Biomotors 13ns 20ns Objectives Characterization of the SecA motor mechanism. Partners Ursula Röthlisberger, EPFL PM Specific Targeted Research Project (STREP) in FP6-NMP-2002

Midterm-Review Meeting Work Package 6: Biomotors Theoretical modeling to elucidate the structure, dynamics and ATPase activity of the SecA “motor” protein Achievements: Refinement of the crystal structures available Understanding the basics of ATP-induced conformational changes and the associated energy transfer in the protein Characterization of the protein’s large amplitude motion and flexible domains Future Goals: Use of more elaborated methods (QM/MM) to improve the understating of the SecA ATP-induced energy transfer Study the ATP hydrolysis mechanism Relate the conformational changes with the ATPase activity Specific Targeted Research Project (STREP) in FP6-NMP-2002

Midterm-Review Meeting Work Package 6: Biomotors Conclusions: The SecA ATP-induced microscopic changes allows us to have a clear picture of the ATP role as a source of energy for the protein translocation process Characterization of the SecA motor mechanism translating chemical and electrostatic energy into mechanical energy can help on the construction of biomimetic analogs Resources: 18 person-months Computational resources provided by the Swiss National Supercomputing Centre CSCS (5000 hours per month).