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Figure 2.
Fig. 2. The p38α MAP kinase:4-FPP complex crystal structure.
(a) The p38α MAP kinase:4-FPP complex structure, with secondary
structural elements in green and surface in transparent gray.
Two 4-FPP molecules, depicted as spheres, are bound to p38α.
One molecule is bound at the active site and is shown in
magenta, and the second binds to the C-terminal domain MAP
kinase hydrophobic pocket, depicted in salmon. (b) Interactions
of 4-FPP in the active-site pocket (the surface of p38α is
depicted in transparent gray). 4-FPP forms a 2.7 Å
hydrogen bond with the Met109 main-chain nitrogen, and the
pyrazol group forms a hydrogen bond with a water molecule that
also forms hydrogen bonds with the Asp168 (of the ‘DFG’
loop) and Lys53 side chains (hydrogen bonds are depicted as
yellow broken lines, and distances are expressed in angstroms).
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