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. 2016 Nov 10;14:32–43. doi: 10.1016/j.ebiom.2016.11.012

Fig. 3.

Fig. 3

Design and characterization of SC13. a. Chemical structure of SC13. b. Best druggable sites of FEN1 predicted by Druggable Site Prediction (DSP). c. Detailed docking mode of SC13 bound to FEN1. Four hydrogen bonds (blue dots) are formed between SC13 compound and S36, T134, N138, and D233 residues on the FEN1 protein. d. Potential of mean force of SC13 binding with FEN1 protein predicted by implementing 50 ns meta-dynamics simulation. e. Circular dichroism spectroscopy analysis of FEN1/SC13 binding. f. Inhibitory effects of SC13 on FEN1 mutations. g. Effects of SC13 on DNA substrate binding.