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Final models of the zinc complexes of IscU_wt and its mutants after QM/MM calculation. In the center, is the structure superposition of the four structures assuming full deprotonation. Close ups on the region around the zinc-binding motif are shown for IscU_wt (black ribbon), IscU_D39A (green); IscU_H105A (blue), and IscU_D39A_H105A (cyan).
