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. Author manuscript; available in PMC: 2022 Aug 18.
Published in final edited form as: Chemphyschem. 2021 Dec 27;23(4):10.1002/cphc.202100680. doi: 10.1002/cphc.202100680

Figure 10.

Figure 10.

Superimposed QM/MM optimized structures of MMP-1•THP (green) and MMP-1 Co1•THP (pink). Zn(II)/Co(II) is coordinated to three histidine residues, His199, His203, and His209, a catalytic water molecule (Wat1), and an auxiliary water molecule (Wat2).