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A) Proposed mechanistic divergence between C–C and C–N bond formation catalyzed by DKP dimerases. B) Plot showing distance from P450 iron-oxo species to indole N1–H (red) and DKP Nα–H (blue) over the course of a 1.2 microsecond MD simulation for AspB (left) and a representative snapshot for N1–H abstraction catalyzed by AspB. C) Corresponding distance plot and representative snapshot for the Nα–H abstraction catalyzed by NzeB.
