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Proton-relay mechanism for the reduction of O2 to 2H2O at the TNC of active and inactive forms of Tth-MCO. Note the presence of a double conformation of Glu541 in the active form of Tth-MCO (a) and its absence in the inactive forms apo Tth-MCO (b) and Hg-Tth-MCO-2h (c). The 2F o − F c (blue) and F o − F c (green) electron-density maps are contoured at the 1σ and 3.5σ levels, respectively. Metal ions and water molecules are represented as spheres. Distances are in Å.
