Fig. 4. (A) 1H NMR spectra (500 MHz, H2O/D2O 9 : 1 pH 6.4, 298 K) of Zn·LASD(HHCC) (top) and Zn·LASD(AHCC) (bottom). (B) Superimposition of the 10 lowest energy structures of Zn·LASD(HHCC) calculated using X-PLOR with NMR-derived distance and dihedral angle constraints. (C) Lowest energy structure of Zn·LASD(HHCC). (D) Superimposition of the solution structure of Zn·LASD(HHCC) (green) and the corresponding sub-domain of the crystallographic structure of ChrR (blue, pdb ; 2Z2S).10 The Zn2+ ion is shown in magenta.
