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Superposition of pentapeptide substrate analogs in the caspase active site. The inhibitor and the critical loop-3 residue that fixes the P5 position in structures of caspase-2, -3, - 6 and -7 complexes with LDESD are shown in green, red, element type and yellow, respectively. Hydrogen bonds between P5 and Thr/Ser of loop-3 in caspase-2, -3 and -6 are indicated by broken lines. The substitution of Pro in loop-3 of caspase-7 eliminates these crucial hydrogen bonds.
