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Mazumder-Shivakumar and Bruice. 10.1073/pnas.0406002101. |
Fig. 7. Model Compounds for ab initio calculations. (I) The model compound for transition state CdRP•NH4+ (general acid Lys-110). The model compounds for the calculation of partial atomic charges in indole and phosphate were II and III, respectively. C, N, O, and P atoms are shown in gray, blue, red, and yellow, respectively.
Fig. 8. Correlation of motion. The region circled in red shows the highest negative correlation. Such high anticorrelated motion is present only in E•S385.