Figure 6.

Pore radius profiles. (a) Schematic illustration of the substrate transport channel, from the cleft entrance to proximal binding pocket, and then to the distal binding pocket and finally to the exit central funnel exit. The pore radius profiles calculated by CAVER 2.0⁶ from the cleft entrance to proximal binding pocket (b) and from the distal binding pocket to the exit (c) for all three monomers of the model system 1 at the end of the simulation (~ 1.1 μs). The pore radius profiles from the original crystal structure (PDB ID: 2DHH) are also included as solid lines for comparison. The relative positions of the residues along the substrate channel, F676 and Q124, mentioned in Figure 4 and Figure 5 are illustrated in red text. The channel 1 coordinate is defined from the cleft to S134, and the channel 2 coordinate is defined from the S134 to the exit.