Figure 3: Motions of the ECD with respect to the 7TM domain in the simulations of glucagon-GCGR and apo-GCGR.
From: Conformational states of the full-length glucagon receptor
(a) Definitions of the Cartesian coordinate system, the polar angle (θ, the included angle between vector OC and axis z), the Azimuthal angle (φ, the included angle between the OC projection on the xy plane and axis x) and the distance between the COMs of the ECD and 7TM domain (d) for describing the motions of the ECD with respect to the 7TM domain in the average structure in the simulation on the glucagon-GCGR complex. (b) The probability map of the MD snapshots with θ and φ as coordinates. The probability of the most abundant conformation is set to 1 and the relative probabilities of other conformations with respect to this conformation are shown. There are two states with higher probabilities (with θ and φ in areas circled by dotted lines): the open state (marine, represented by confopen) that can be stabilized by glucagon (semitransparent green cartoon) and the closed state (red, represented by confclosed). (c–e) Time dependences of θ, φ and d in the MD simulations on apo-GCGR and glucagon-GCGR and indication of confopen and confclosed MD snapshots.
