Fig. 8

2D interaction plot of wild-type (Leu311) AKR1C4 complexed with NADPH. The diagram illustrates the molecular interactions between NADPH and the wild-type AKR1C4 (Leu311) within the active site. Key conventional hydrogen bonds are formed with Lys270, Asn280, Glu279, Gln222, Tyr55, Asn167, Ser217, and Arg276, stabilizing the ligand within the binding pocket. Additional Pi-alkyl and Pi-Pi stacking interactions further enhance ligand binding.