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. 2020 Nov 23;9:e60470. doi: 10.7554/eLife.60470

Figure 9. Ibrutinib and Dasatinib occupy the back pocket of the BTK active site.

Figure 9.

(a) Superposition of the five inhibitor-bound structures of BTK linker-kinase domain (gray cartoon) show that Dasatinib and Ibrutinib are oriented toward the back of the kinase and GDC-0853, CGI1746, and CC-292 fill the front pocket. The five drugs are displayed as sticks and colored as in Figure 5, and only one kinase domain is included for clarity. (b) An enlargement of the region surrounding the active site, with surface rendering of the active site pockets. Two views are shown and only Ibrutinib and GDC-0853 are included for clarity as they represent the two binding modes. (c) Close-up view of the BTK active site with Ibrutinib (top), Dasatinib (middle), and GDC-0853 (bottom) depicted in spheres. L460 lines the kinase back pocket. The R-spine is shown in blue sticks and transparent surface with L460, M449, and F540 labeled. The αC-helix is in yellow with E445 shown in sticks.