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. 2004 Aug 16;101(34):12461–12466. doi: 10.1073/pnas.0404781101

Fig. 5.

Fig. 5.

The crystal structures of active caspases, allosterically inhibited caspase-7, and XIAP-BIR3-inhibited caspase-9 scored for concavity. As labeled, caspase-1 (PDB ID code 1IBC) (38), caspase-2 (PDB ID code 1PYO) (27), caspase-3 (PDB ID code 1NME) (12), caspase-7 (PDB ID code 1I51) (22), caspase-7/DICA (PDB ID code 1SHJ), caspase-8 (PDB ID code 1QTN) (39), caspase-9 (PDB ID code 1JXQ) (28), and caspase-9/XIAP-BIR3 domain (PDB ID code 1NW9) (29) were analyzed for concavity by using hotpatch (F. K. Pettit, E. Bare, A. Tsai, and J. U. Bowie, www.doe-mbi.ucla.edu/cgi/pettit/hotpatchweb), then colored (concave regions, red; nonconcave regions, blue) and rendered in pymol (www.pymol.org). A central cavity can be observed in all the structures except that of caspase-9, which constitutively lacks a central cavity and is alternately regulated, and allosterically inhibited caspase-7/DICA, in which the central cavity is occluded by the L2′ loops. In caspase-2 and -8 the substrate-binding clefts also scored highly for concavity but were edited out for clarity. Casp, caspase.