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Figure 6.
Figure 6. Proposed Catalytic MechanismThe proposed mechanism
involving His-122 as a general base catalyst in substrate
deprotonation, and the subsequent formation of a tetravalent
intermediate. The conserved residue Tyr-168 is positioned 3.5
Å away from the modeled position of the sulfur atom of
AcCoA and could serve as a general acid catalyst to protonate
the incipient thiolate anion of CoA. AAA stands for an
arylalkylamine substrate.
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