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Mazumder-Shivakumar and Bruice. 10.1073/pnas.0406002101.

Supporting Information

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Supporting Figure 7
Supporting Table 2
Supporting Figure 8




Supporting Figure 7

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.





Supporting Figure 8

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.