Fig. 3.

CheY_{FixJ DctD}•BeF₃⁻ displays two conformations of His89, one of which is in a sterically obstructive position. Both panels are from the perspective of a nucleophilic water molecule, looking straight down the line connecting the beryllium atom and Asp57 Oδ1 atom. The same general modeling scheme described in Fig. 2a, with only residues 14, 59, and 89 colored, applies. BeF₃⁻ is orange and Mn²⁺ is marked by a sphere in the color of the parent molecule. (a) Overlay of CheY_{FixJ DctD}•BeF₃⁻•Mn²⁺ chain A (olive green), CheY_{FixJ DctD}•BeF₃⁻•Mn²⁺ chain B (green), and wild type CheY•BeF₃⁻•Mn²⁺ (magenta, pdb 1FQW). Note both chains A and B of CheY_{FixJ DctD} contain two rotamers of Arg59. (b) Overlay of CheY_{FixJ DctD}•BeF₃⁻•Mn²⁺ chain B (green) and DctD•BeF₃⁻•Mg²⁺ (blue, pdb 1L5Y).