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. Author manuscript; available in PMC: 2022 Aug 1.
Published in final edited form as: J Biol Inorg Chem. 2021 Jul 6;26(5):583–597. doi: 10.1007/s00775-021-01876-6

Fig. 3.

Fig. 3

Comparison of the overall MD properties of the simulated systems. a) RMSD, b) distance between the center of mass of catalytic Zn(II) and structural Zn(II) coordinated residues, c) distance between the center of mass of CAT and HPX domains, and d) distance between the center of mass of the catalytic site and the scissile bond. The simulated systems were MMP-1•THP complex with both the catalytic and structural Zn(II) present (MMP1 Zn1 Zn2) (black), without structural Zn(II) (MMP1 Zn1) (green), without catalytic Zn(II) (MMP1 Zn2) (red), and without both Zn(II) ions (MMP1 no Zn) (blue).