Figure 1
From: Structural investigation of Trypanosoma cruzi Akt-like kinase as drug target against Chagas disease
NMR derived structure of TcAkt-PH (PDB: 8OZZ) (a) CS-Rosetta57,58 plot: All atom energies of TcAkt-PH models with respect to their Cα-RMSD values relative to the lowest-energy model. 10 000 structures were calculated. For each structure the Cα-RMSD to the lowest-energy structure (S_07667) was calculated and plotted against the all-atom energy of each model. The run is designated as converged due to the shape of the plot and the averaged Cα-RMSD value of 1.7 Å of the final 10 structures to the lowest-energy model (S_07667). (b) Lowest energy structure as cartoon representation: TcAkt-PH forms a typical PH domain fold, built of two antiparallel β-sheets shown in blue (β1-β4, β5-β7) and a C-terminal α-helix α1 (red). Loops are shown in grey. (c) Topology and amino acid sequence of TcAkt-PH (aa 2–105).
