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Figure 4.
Fig. 4. Modes of inhibitor binding to the JAK1 and JAK2
kinase domains. (a) Interaction between CMP6 and JAK1 PTK. (b)
Interaction between CP-690,550 and JAK1 PTK. (c) Interaction
between CP-690,550 and JAK2 PTK. The left panel shows the side
chains of residues that interact with the inhibitor as well as
the main-chain atoms and water molecules participating in
hydrogen bonds. The right panel shows a corresponding view of
the inhibitor in a ball-and-stick representation and covered
with the simulated annealing F[o] − F[c] electron density omit
map contoured at 3σ. (d) Chemical structures of CMP6 (left) and
CP-690,550 (right). Functional group names are indicated, and
atoms are labeled according to the Protein Data Bank structure
files. Carbon, nitrogen, oxygen and fluorene atoms are shown in
yellow, blue, red and gray, respectively.
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