Fig. 5.

Ligand interaction map of the predicted binding mode of A) 32S-isomer, B) 33R-isomer deprotonated, C) 33S-isomer deprotonated, D) 27S-isomer, E) 25R-isomer, F) 26S-isomer, G) 31S-isomer, H) 31S-isomer deprotonated, I) 39R-isomer deprotonated, J) 35 deprotonated, K) 25S-isomer, and L) 32R-isomer in the ATP-binding site of the RSK2 NTKD, where red residues are charged negative, purple residues are charged positive, green residues are hydrophobic, and blue residues are polar, magenta arrows indicate H-bonds, violet lines indicate slat bridges, and gray spheres represent areas of solvent exposure.