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All inhibitors (shown in blue as sticks) dock in the ATP-binding site of HK853 with a predicted binding mode resembling the experimental data (3DGE) from the natural product ADP (Top left). They interact with key elements involved in ATP-binding and autophosphorylation, i.e the N-, G1-, G2-boxes (shown in orange, blue and yellow, respectively) and the ATP-lid (shown in red).
