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Theoretical structure of the TS for NSD2 methylation of H3K36. (A) A simplified TS model calculated for the NSD2 methyl-transfer reaction using M062x/6-31G*. (B) Relationships between TS geometry and predicted KIEs. KIEs calculated using the program ISOEFF98 are plotted at varying C–N and C–S distances. Observed KIEs are shown as a red line with the SD shown in gray.
