Tryptophan lyase (NosL): mechanistic insights into amine dehydrogenation and carboxyl fragment migration by QM/MM calculations

5 years ago

Tryptophan lyase (NosL): mechanistic insights into amine dehydrogenation and carboxyl fragment migration by QM/MM calculations

Wenyou Zhu, Yongjun Liu, Xiya Wang

QM/MM calculations suggest two feasible pathways for the breaking of the C-C bond of the substrate. The breaking of the C[small alpha]-C[small beta] bond leads to the final product, whereas the cleavage of the C[small alpha]-C bond will terminate in the EPR-trapped radical intermediate.

Publisher URL: http://feeds.rsc.org/~r/rss/cy/~3/rZeasZHhLG8/C7CY00573C

DOI: 2017/CY/C7CY00573C

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