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A rendition of the TauD active site predicted by the 1GY9 crystal structure17 compared with the modeled version. The 1GY9 crystal structure was loaded into Avogadro, the surrounding protein and Fe center were fixed, a NO molecule was placed into the open coordination site, and the orientations of taurine and NO were determined with the “Auto Optimize” tool using the Unified Force Field approximation.40
