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. Author manuscript; available in PMC: 2011 May 27.

Published in final edited form as: J Phys Chem B. 2010 May 27;114(20):7022–7028. doi: 10.1021/jp911527y

Chart 1 — The active site structure of PDE10-GMP complex:¹⁹ Zn(II) is coordinated to His529, His563, Asp564, Asp674, and two phosphate oxygen atoms (O1 and O3); Mg(II) is coordinated to Asp564, two phosphate oxygen atoms (O2 and O3), and three water molecules. refers to a coordination bond. There are unfavorable interactions between the GMP guanine group and Gln726 amide group as these two groups are nearly coplanar.

Inline graphic — The active site structure of PDE10-GMP complex:¹⁹ Zn(II) is coordinated to His529, His563, Asp564, Asp674, and two phosphate oxygen atoms (O1 and O3); Mg(II) is coordinated to Asp564, two phosphate oxygen atoms (O2 and O3), and three water molecules. refers to a coordination bond. There are unfavorable interactions between the GMP guanine group and Gln726 amide group as these two groups are nearly coplanar.