Fig. 5: Plausible pathways for NicX-catalyzed DHP degradation, in which dioxygen attacks either from the equatorial position (Pathway IA, colored in pink; Pathway IB, colored in cyan), or the apical position (Pathway II, colored in light green). | Nature Communications

Fig. 5: Plausible pathways for NicX-catalyzed DHP degradation, in which dioxygen attacks either from the equatorial position (Pathway IA, colored in pink; Pathway IB, colored in cyan), or the apical position (Pathway II, colored in light green).

From: Structure-guided insights into heterocyclic ring-cleavage catalysis of the non-heme Fe (II) dioxygenase NicX

Fig. 5: Plausible pathways for NicX-catalyzed DHP degradation, in which dioxygen attacks either from the equatorial position (Pathway IA, colored in pink; Pathway IB, colored in cyan), or the apical position (Pathway II, colored in light green).The alternative text for this image may have been generated using AI.

Pathway IA and IB denote that the nitrogen and oxygen atoms of DHP bind the metal ferrous center, respectively. In Pathway II, the substrate DHP does not directly chelate with the ferrous ion. The possibly one-electron transfer radical species are drawn in square brackets. The C6 is the most vulnerable position in DHP, with an f- value of 0.148 based on Fukui function analysis in the upper left corner (C2, 0.067; C3, 0.062; C4, 0.052; C5, 0.090; C6, 0.148).

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