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. Author manuscript; available in PMC: 2014 Jun 1.
Published in final edited form as: J Biomol NMR. 2013 Apr 23;56(2):125–137. doi: 10.1007/s10858-013-9729-7

Fig. 5.

Fig. 5

Ribbon representation of (a) the 1R1V crystal structure of Zn(II)-CzrA and (b) a MRD-NMR refined structure of Zn(II)-CzrA near the metal binding site. Interactions between Asp83 and Lys70 (blue dotted line) and Asp83 and Leu68 (red dotted line) are indicated. (c) Normalized population distributions of the heavy atom hydrogen bond distances for the metal ion refined RDC+NOE constrained MD and QM/MM MD ensemble of structures