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. 2020 Apr 24;183(3):957–973. doi: 10.1104/pp.20.00406

Figure 9.

Figure 9.

Positions for the ligand, substrate and product molecules. A to E, Crystallographic position of HEPES (A) and molecular docking positions of trans-cinnamic acid (B), 2-naphthoic acid (C), p-coumaric acid (D), and 6-HNA (E) to SbC4H1. F and G, Two substrates of SbC4H1, cinnamic acid (black) and 2-naphthoic acid (pink), docked in the same location and orientation (F), and the same was true for two corresponding products, p-coumaric acid (black) and 6-HNA (pink; G). H, Docked position of trans-cinnamic acid at the surface with lower affinity, ΔGb, of either −6.6 (green) or −6.1 (cyan) kcal mol−1. Trans-cinnamic acid at the active site is indicated in blue, and the heme in orange. Figures were generated by Molecular graphics images, produced using the Chimera package (UCSF, under grant no. NIH P41 RR–01081).