Figure 1
Metal-ion coordination at the active site of cyclic D-glucose-bound E186Q xylose isomerase. The structural metal site, M1, is modeled as two metal ions, Mg2+ and Mn2+, with occupancies of 75 and 25%, respectively. The catalytic metal site, M2, is fully occupied by Mn2+. Both M1 and M2 have a coordination number of six, forming an octahedral geometry. Distances are given in Å. D but not H atoms are shown for figure clarity. Mn2+, magenta; Mg2+, green. |