Figure 5.

(A) Docking poses of compound 2 (ball-and-stick, yellow carbons) and 2A (blue carbons) in LmPTR1 (pink cartoon with Arg287 from the neighboring subunit shown in magenta sticks; NADP⁺ cofactor in ball-and-stick with green carbons). Interactions are indicated as dashed lines colored according to the interacting compounds’ carbon color. Interacting residues are shown in stick representation; (B) As (A) but rotated by approx. 90°. The yellow arrows indicate the kink in the ligand that is introduced by the chromanone ring system.