Fig. 4
Molecular Dynamics (MD) simulations reveal contacts between Fj1 and SSTR4. (A) Representative orientation of Fj1 (orange stick representation) in complex with SSTR4 (gray ribbon representation). The membrane present within the simulation was removed for clarity. The interactions made by Fj1, which facilitated binding, are labeled. The representative binding mode was obtained by clustering all replicate trajectories, with a model representing the largest cluster displayed. (B) Overlay of Fj1 (orange) and SST-14 (blue, PDB 7XMS) in complex with SSTR4 (dark gray). (C) The orientation of Fj1 throughout a representative 1 µs simulation is shown with 10 snapshots colored from blue to white to red. (D) Representative orientation of Fj1 (orange) from the simulation when in complex with SSTR4, overlaid with SST-14 in complex with the same receptor construct (gray, PDB 7XMS).
