Fig. 3: Crystal-structure analysis of the designer tri-zinc enzyme in this study. | Nature Communications

Fig. 3: Crystal-structure analysis of the designer tri-zinc enzyme in this study.

From: A cytokine-based designer enzyme with an abiological multinuclear metal center exhibits intrinsic and extrinsic catalysis

Fig. 3: Crystal-structure analysis of the designer tri-zinc enzyme in this study.

Top view of the crystal structures (a, d) and close-up side view (b, e) of Zn3-MIF(S61H/Y100H) under high zinc concentration (PDB code: 9JIZ; carbon: cyan) and Zn3-MIF(Y100H) (PDB code: 9JJ0; carbon: cyan). Superimposed images of the crystal structures: c MIF(S61H/Y100H) (PDB code: 9JIT; carbon: pink), Zn3-MIF(S61H/Y100H) under low zinc concentration (PDB code: 9JIY; carbon: orange), and Zn3-MIF(S61H/Y100H) under high zinc concentration; f MIF(Y100H) (PDB code: 9JIV; carbon: pink), and Zn3-MIF(Y100H) under low zinc concentration. Superimposed images of the DFT-optimized trinuclear zinc center, S61H2-H631-Y100H2, (carbon: yellow) with g the synthetic zinc complex, h Zn3-MIF(S61H/Y100H) under high zinc concentration, and i Zn3-MIF(Y100H) under low zinc concentration (carbon: cyan). Carbon atoms are colored as described above. Zinc atoms are displayed in orange and deep purple for Zn3-MIF(S61H/Y100H) under low zinc concentration and Zn3-MIF(S61H/Y100H) under high zinc concentration, respectively. Other atoms are colored as follows: nitrogen (blue), oxygen (red), and chloride (green). Spheres represent Cα atoms, and the matching colors correspond to those of the same monomer.

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