Identifying human diamine sensors for death related putrescine and cadaverine molecules
Fig 5
Effect of PUT and CAD on the ‘transmission switch’ amino acids.
(A) Structural attributes of the ‘transmission switch’ residues 3.40, 5.50 and 6.44 (in sticks), in TMs 3-5-6 (in cylinders), on the ADRB2 in agonist bound active- (PDB ID: 3SN6, in green) and inverse agonist bound inactive- conformation (2RH1, in red). Arrows represent the observed movement of the helices in the transition from the inactive to the active state of the receptor. (B) Distribution of L3.40, P5.50 and F6.44 Cβ atoms positions (dots) in the TAAR6 and (C) V3.40, P5.50 and F6.44 Cβ atoms in the TAAR8 during simulations of active-like PUT/CAD bound in green/light green and inactive-like PUT/CAD bound in red/light red. Numbers correspond to the standard deviation (SD) of the Cβ atoms positions from the centroid of 100 evenly spaced snapshots extracted from the 1.0 μs of unbiased MD simulations.