Fig. 1. In silico model of IR45 with substrates 1a and 4a. The structure of IR45 is modelled based on Q1EQE0 (PDB: ; 3zhb) and docked with 1a or 4a (grey) and NADPH (pink); critical residues in the binding cavity are labelled. Protein backbones and residues from different subunits are indicated by yellowish brown and green colours. (A) IR45 with 1a; (B) IR45 with 4a.
