Fig. 5
From: Effect of molybdenum and tungsten on the reduction of nitrate in nitrate reductase, a DFT study
The chemical structures of the active site model complex of protein X-ray crystal structure of Nar (PDB ID 1R27) [19] represented as X as well as the active site model complexes derived from the protein X-ray crystal structure of Nar (PDB ID 1R27) [19] showing metal–sulfur and metal–oxo specie bond distances. Where, model 1 represents the presence of M–OH2 bond, 2 represents the presence of M–OH bond, 3 represents the presence of M=O bond, however, a and b represents the Mo and W, respectively, as the metal at the active site