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. Author manuscript; available in PMC: 2017 Oct 18.
Published in final edited form as: Biochemistry. 2016 Oct 7;55(41):5818–5831. doi: 10.1021/acs.biochem.6b00834

Figure 11.

Figure 11

Computationally docked model of Ppant-L-PAPA in the active site of WTOx. The amine group of L-PAPA is within hydrogen bonding distance to the carboxylate of E377. Binding of NRPS~L-PAPA could cause a sterically-driven conformational change of E377 to a monodentate mode which triggers the reaction with O2. The docked model is based on work presented in ref.5