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Figure 1.
Figure 1: Details of individual reaction steps with macrophomate
synthase. Step 1 is decarboxylation of oxalacetate. Step 2
are Diels -Alder reactions of the enolate and 2-pyrones 2 and 4
to form higher energy adducts 3 and 5, respectively. Step 3 is
degradation of 3 in which abstraction of hydrogen triggers C -O
bond cleavage followed by decarboxylation and elimination of
hydroxy group. The steric energies (SE) of each compound were
determined by molecular mechanics calculations using the MM2
force field.
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