Extended Data Fig. 8: MD simulations of protein translocation in TIM23.
From: Dynamic TOM–TIM23 supercomplex directs mitochondrial protein translocation and sorting
a, Side chain orientations of all substrate residues from α2 of the modeled substrate during simulated translocation through the Tim17 groove in the presence (left) or absence (right) of Mgr2. This panel extends the analysis from Fig. 4c to include all substrate residues, providing a comprehensive view of their orientations. b, Initial model used for the MD simulations. The side chains of the substrate are labeled and shown as balls and sticks. c, MD simulations of the substrate-engaged TIM23 complex, demonstrating that the complex remains impermeable to water diffusion, irrespective of Mgr2’s presence. Water molecules are depicted as red and white spheres. The orange spheres are the phosphorous atoms of lipids.
