Fig. 7

The structure of Bcl2 (4IEH) and binding site: Fig. 7a shows the 3D structure of crystal structure of human Bcl2 with an endogenous ligand (PDBID: 4IEH). The solid ribbon is the 3D structure of crystal structure of human Bcl2 with a 2.1 Å resolution. In the centre of 4IEH is an endogenous ligand (yellow) bound in the interface. Figure 7b shows ten poses of tanshinone IIA docked into the endogenous ligand’s (yellow) active site of 4IEH. Figure 7c shows ten poses of ADM docked into the endogenous ligand’s (yellow) active site. Figure 8d shows the binding model of tanshinone IIA in Bcl-2: at least two residues involved in the interactions in ten random poses, Arg105 (H-bonds), and Arg66 (aromatic interactions). Figure 8e shows the binding model of ADM in Bcl-2: at least six residues involved in the interactions in ten random poses, Ala59, Arg66, Asn102, and Try161 (H-bonds), Gly104, and Arg105 (H-bonds plus aromatic interactions)