Figure 4

Dihedral angle distribution analysis for the residues BL2 loop (χ₁ (CA to CB) and χ₂ (CB to CD/CZ) angles conformation). (A) 3D structure representation of the distance between R166 (in grey), P299 (in sand) and Y268 (in magenta). (B) Distance between R166 to Y268 in absence and presence of the ligands and distance between Pro299 to Tyr268 in absence and presence of the ligands. (C) 2D and 3D representation of the χ angles in Y268 and Gln269 from apostructure and in presence of the ligands. For each graphic in (D,E) Dark coloured angles (black, dark blue, pink, dark orange and red) represents the angle χ₁, which is the movement of Tyr289 and Gln269, while the light coloured bars represents the χ₂, which is the angle of Tyr289 and Gln269. Graphics are coloured according to Apostructure by grey, GRL-0617 sky blue, PLP_Snyder530, magenta, XR8-89, orange and CPD7 covalently bound, red.