MK2 (or MAPKAPK2) was already known for its role in the inflammatory response, however
recent studies indicate the involvement of this protein kinase in the DNA damage response
mechanism. Within its kinase family the enzyme MK3 shows the highest identity with MK2.
Here we report a theoretical study on the binding of two molecules, 05B and P4O, to the proteins
MK2 and MK3. The data here obtained may shed light on the contribution of individual residues and
binding site water molecules for the binding of potential inhibitors to these two kinases.