Fig. 8.

The structure of PI3K (4J6I) and binding site: Fig. 8a shows the 3D structure of crystal structure of human PI3K with an endogenous ligand (PDBID: 4J6I). The solid ribbon is the 3D structure of crystal structure of human PI3K with a 2.9 Å resolution. In the centre of 4J6I is an endogenous ligand (yellow) bound in the interface. Figure 8b shows ten poses of tanshinone IIA docked into the endogenous ligand’s (yellow) active site of 4J6I. Figure 8c shows ten poses of ADM docked into the ligand’s (yellow) active site of 4J6I. Figure 8d shows the binding model of tanshinone IIA in 4J6I: at least two residues involved in the interactions in ten random poses, one is Lys890 (H-bond), another is Met953 (aromatic interaction). Figure 8e shows the binding model of ADM in 4J6I: at least seven residues involved in the interactions, Val882, Ala885, Asp884, Thr887, Lys890, Asp950, and Met953 (H-bonds)