Figure 4
From: Structural investigation of Trypanosoma cruzi Akt-like kinase as drug target against Chagas disease
Conformational and dynamic changes of TcAkt-PH initiated by Ins(1,3,4,5)P4 binding. (a) Dynamic analysis of apo TcAkt-PH and Ins(1,3,4,5)P4 bound TcAkt-PH. The hetNOE values (see Eq. 3) of residues of apo TcAkt-PH are shown as black spheres. The hetNOE values of residues of TcAkt-PH bound to Ins(1,3,4,5)P4 are shown as white spheres. TcAkt-PH secondary structure elements are shown above the graph: β-strand forming residues are marked as blue squares, helix forming residues are represented as red spheres. (b) Structure of TcAkt-PH colored according to determined hetNOE values of TcAkt-PH bound to Ins(1,3,4,5)P4: low hetNOE values are shown in cyan (min: 0.28), high hetNOE values in purple (max: 0.90), n.a. in white. Orientation of TcAkt-PH is consistent with Fig. 1b. (c) Structural superimposition of TcAkt-PH apo-form (yellow loops) and TcAkt-PH bound to Ins(1,3,4,5)P4 (green loops, light green 310 helix).
