Figure 4. Small-molecule inhibitors are capable of fully blocking the optimized catalytic domain ATPase activity.

The small molecules derived from computational screen of ZINC database were incubated with the enzyme at 37°C and ATP hydrolysis was determined by measuring ADP release as described under Materials and Methods. Inhibitor concentrations were 100 µM for all reactions. The numbers on the X axis correspond to in-house IDs for individual compounds. Error bars correspond to standard deviation of triplicate measurements.