Figure 7.

Identification of three potentially druggable sites on p38 kinase. (A) In addition to the ATP binding site (enclosed in rectangular box, magnified in panel B), two other druggable sites are identified at the MK2 binding site and at the MAPK insert. p38 structure⁸¹ (PDB ID: 1P38) was used in the simulations. (B) Close up view of the ATP binding site, with an inhibitor (compound 30 in Wrobleski et al.;⁸² PDB ID: 3BV2) in black stick representation. Adenine/ribose binding and allosteric pockets are indicated. Acetamide and IPAM interaction spots are labeled as A and + respectively.