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Poses of some active compounds

Poses of some active compounds

Poses of some active compounds. Docking of BSN (a, e), FSA (b, f), nitrile (c, g) and bromine (d, h) compounds in CK2α. In the upper panel, oxygen atoms are represented in red, nitrogen in blue, carbon in cyan, sulfur in yellow, bromine in green and hydrogen in white. In the upper panel, hydrogen bonds are represented as dotted lines. In the lower panel, the cavity is represented as a solid surface in which hydrophobic residues are figured in white, negatively charged in red, positively charged in blue and polar residues in green. Some key structural elements of the protein surrounding the active site are shown (in brackets when there is no interaction with the ligand).