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The model consists of a R. leguminosarum HypC homology structure superimposed onto the crystal structure of HypCD from T. kodakarensis [20]. Fe–(CN)2CO was added to the N–terminus of HypC (Cys2) with the iron ion in close proximity to Cys38 of HypD and optimized in an aqueous environment. The Fe–(CN)2CO cofactor has been added to the model in silico [19].
