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Figure 4
Active-site structure of CDAE. (a) Active center of CDAE. (b) Enlargement of the metal-binding structure. (c, d, e) The hydrogen-bonding networks of complex structures between CDAE and D-allulose (c), D-fructose (d) and D-tagatose (e). The bound substrates were generated by molecular docking with Glu156, His186 and Arg215 as the flexible residues. Active-site residues of CDAE are shown in stick representation. D-Allulose, D-fructose and D-­tagatose are shown in stick and sphere representation, with their C atoms in green, gray and cyan, respectively. Mn2+ ions and water molecules (W1, W2 and W3) are shown as blue and cyan spheres, respectively.

Journal logoSTRUCTURAL
BIOLOGY
ISSN: 2059-7983
Volume 78| Part 9| September 2022| Pages 1180-1191
https://doi.org/10.1107/S2059798322007707
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