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. Author manuscript; available in PMC: 2018 Nov 6.
Published in final edited form as: Inorg Chem. 2017 Nov 6;56(21):13205–13213. doi: 10.1021/acs.inorgchem.7b01945

Figure 6.

Figure 6

Optimized structures of the L16G AXCP Fe(III)-nitrite complex showing (A) nitro and (B) nitrito coordination modes. Note: His120, Gly16, and Met19 residues are truncated at Cα carbons as CH3 groups.