This is a molecular model of methyltransferase NozMT docked with substrate prenyl-cyclo-D-Trp-D-Trp diketopiperazine (DKP). NozMT catalyzes the sequential C-methylation and N-methylation of this DKP substrate; it is a rare example of a single methyltransferase that catalyzes methylation of two different sites (carbon and nitrogen) on an asymmetric (prenyl-cyclo-D-Trp-D-Trp) substrate. Dual methylation in biosynthetic pathways is instead typically accomplished through two different enzymes. NozMT appears in in the nocardioazine biosynthetic pathway from actinomycete Nocardiopsis sp. CMB-M0232.

NozR and this molecular model were first published in: Deletti G, Green SD, Weber C, Patterson KN, Joshi SS, Khopade TM, Coban M, Veek-Wilson J, Caulfield T, Viswanathan R, Lane AL. (2023) Unveiling an indole alkaloid diketopiperazine biosynthetic pathway that features a unique stereoisomerase and multifunctional methyltransferase. Nature Communications. 14: 2558