Figure 5
Figure 5. Binding site of the human P2Y12R. Comparison of the crystallographic pose of 2MeSADP (green carbons) (A) and the docking pose of PSB-0413 (cyan carbons) (B) at the WT agonist-bound P2Y12R crystal structure. Side chains of some amino acids important for ligand recognition are highlighted (gray carbon sticks). H-bonding and ionic interactions are pictured as red dotted lines. Nonpolar hydrogen atoms are not displayed. In panel A, ribbon regions corresponding to residues whose mutation is associated with a receptor dysfunction previously reported in patients are highlighted in pink and labeled with pink letters as follows: A, Lys174; B, Arg256, Pro258; and C, Arg265.

Binding site of the human P2Y12R. Comparison of the crystallographic pose of 2MeSADP (green carbons) (A) and the docking pose of PSB-0413 (cyan carbons) (B) at the WT agonist-bound P2Y12R crystal structure. Side chains of some amino acids important for ligand recognition are highlighted (gray carbon sticks). H-bonding and ionic interactions are pictured as red dotted lines. Nonpolar hydrogen atoms are not displayed. In panel A, ribbon regions corresponding to residues whose mutation is associated with a receptor dysfunction previously reported in patients are highlighted in pink and labeled with pink letters as follows: A, Lys174; B, Arg256, Pro258; and C, Arg265.

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