Fig. 6

The structure of Akt2 (2JDR) and binding site: Fig. 6a shows the 3D structure of crystal structure of human Akt2 with an endogenous ligand (PDBID:2JDR). The solid ribbon is the 3D structure of crystal structure of human Akt2 with a 2.3 Å resolution. In the centre of 2JDR is an endogenous ligand (yellow) bound in the interface. Figure 6b shows ten poses of tanshinone IIA docked into the endogenous ligand’s (yellow) active site of 2JDR. Figure 6c shows ten poses of ADM docked into the endogenous ligand’s (yellow) active site of 2JDR. Figure 6d shows the binding model of tanshinone IIA in Akt2: at least two residues involved in the interactions in ten random poses, one is Lys181 (H-bond), another is Phe163 (aromatic interactions). Fig. 6e shows the binding model of ADM in Akt2: at least ten residues involved in the interactions in ten random poses, Leu158, Glu236, Lys277, Asp440, Asn280, Thr292 and Asp293 (H-bonds), Phe163, Val166, and Met282 (aromatic interactions).