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. 2022 Apr 6;13:1864. doi: 10.1038/s41467-022-29239-y

Fig. 4. Switching and characterization of POP167/517.

Fig. 4

a Assay for Ni(II)-dependent switching. b Ni(II)-dependent switching as measured by the relative rate of Z-Ala-Pro-pNA hydrolysis upon addition of Ni(II) (green points) or EDTA (black points); average rates are shown as green or black dashed lines, respectively. Data points are averages of triplicate reactions and error bars represent standard deviations. c Intact protein ESI-MS data for POP167/517 in the presence of excess EDTA (black) or Ni(II) (green). Raw MS data (left) was deconvoluted (right) using m/z windows of either 700–900 or 1100–1500 for the Ni(II)-treated protein. d UV–Vis (left) and CD (right) spectra for apo (black) or Fe(II)-treated (pink) POP167/517 showing expected MLCT transition and intraligand charge transfer, respectively, in the presence of Fe(II). e A representative structure of Ni(II)-bound POP167/517 from MD simulation shows coordination of two BpyAla residues and two waters to the Ni(II) center. Source data are provided as a Source Data file.