Fig 2. The active site structure upon binding of OF inducer.

(Top) Ribbon representation of the TcDHODH structure in complex with orotate (ORO, PDB: 2E6A)[16]. (Bottom) Structure of the TcDHODH in complex with 1 (3W1Q). Yellow loop represents the active site loop (S128—V139). A “zoom in” pose of the active site pocket is shown (inset) with hydrogen bonds represented as dotted lines. Ball-and-stick represents ORO and atoms of carbon, nitrogen, oxygen, and hydrogen colored in gray, blue, red, and white, respectively.