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Work Package 6: Biomotors

13ns. 20ns. Objectives. Partners. PM. Midterm-Review Meeting. Molecular Machines- Design and Nano-Scale Handling of Biological Antetypes and Artificial Mimics. Work Package 6: Biomotors. Characterization of the SecA motor mechanism. Ursula Röthlisberger, EPFL.

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Work Package 6: Biomotors

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  1. 13ns 20ns Objectives Partners PM Midterm-Review Meeting Molecular Machines- Design and Nano-Scale Handling of Biological Antetypes and Artificial Mimics Work Package 6: Biomotors Characterization of the SecA motor mechanism. Ursula Röthlisberger, EPFL Specific Targeted Research Project (STREP) in FP6-NMP-2002

  2. 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

  3. 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).

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