Enzyme Activity for Computational Drug Design

Enzyme Activity for Computational Drug Design

David A. Bloore, Tidor Group

MIT CSAIL, MIT Department of Biological Engineering

This is an image of an enzyme that cancer cells use to suppress the immune system. It is Protein DataBase entry 5ETW. I am trying to use publicly available data to determine the structure of the active site of this enzyme, and this is one of the crystal structures of IDO-1 bound with an inhibitor. If I can confidently determine the structure of the active site then I can start to design a new cancer drug that targets it.

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