P 450 variations bifurcate the early terpene indole alkaloid pathway in Catharanthus roseus and Camptotheca acuminata Author Miller, Justin C. Department of Chemistry, University of Illinois at Urbana-Champaign, 1201 W. Gregory Dr., 162 Edward R. Madigan Laboratory (ERML), Urbana, IL, 61801, USA Author Hollatz, Allison J. Author Schuler, Mary A. text Phytochemistry 2021 112626 2021-03-31 183 1 13 http://dx.doi.org/10.1016/j.phytochem.2020.112626 journal article 264545 10.1016/j.phytochem.2020.112626 d3a8c867-b60b-4414-bacc-7f4dc0f256fb 1873-3700 8291734

Table 3 Docking parameters from homology models.

		loganic acid		loganin
Results computed using MOE software of models docked with substrates and minimized to root mean squared ±0.01 kcal mol 1 (Å 2) 1 a Ligand-receptor interaction energy calculated in MOE software. b Distance from C10 of substrate to oxygen ligand of heme.
CYP	Δ E a	C–O Distance b	Δ E a	C–O Distance b
	kJ mol 1 Å		kJ mol 1	Å
72A1v3	140. 3.79		102	3.69
72A564	157	4.20	90.3	5.55
72A565	183	3.56	100.	4.32
72A730	164	3.64	126	3.10