PowerPoint-Pr

1
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 proteins 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).