Neisseria-Media
Video of 150 ns MD simulation of TbpA-TbpB-hTf triple protein complex. TbpA represented in red, TbpB in blue, and hTf in green. DPPC lipid model was not shown for clarity.
RMSD graph for Ca atoms of TbpA-TbpB-hTf triple protein complex MD simulation. RMSD graph highlight the equilibration after 115 ns.
The closure of arms of TbpA from single protein MD simulations. This conformational change led to unsuccessful protein-protein docking simulations for building triple protein-protein docking simulations.
Details of the study can be found here:
Details of the study can be found here:
- Duran, G.N., Özbil, M. “Structural rearrangement of Neisseria meningitidis transferrin binding protein A (TbpA) prior to human transferrin protein (hTf) binding” Turk. J. Chem, 45, 1146-1154, 2021.