Crystal structure of active caspase-6 bound with Ac-VEID-CHO

Crystal structures of human caspase 6 reveal a new mechanism for intramolecular cleavage self-activation

delta-prodomain; Caspase-6 subunit p18/Caspase-6 subunit p11

CASP-6, Apoptotic protease Mch-2, Caspase-6 subunit p18, Caspase-6 subunit p11

AFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEV
STVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTE
KLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDF
CKDPSAIGKKQVPCFASMLTKKLHFFPKSNLEHHHHHH

20% w/v PEG 8000, 0.2M magnesium acetate, 0.1M sodium cacodylate pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K

ADDING DTT DURING CRYSTALLIZATION, CACODYLATE IN THE CRYSTALLIZATION BUFFER WAS REDUCED TO (CH3)2AS AND BOUND TO THE RESIDES CYS 163 OF THE PROTEIN.

Caspase domain, Apoptotic protease, HYDROLASE-HYDROLASE INHIBITOR complex

AFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEV
STVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTE
KLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDF
CKDPSAIGKKQVPCFASMLTKKLHFFPKSN

BINDING SITE FOR CHAIN C OF PEPTIDE ALDEHYDE INHIBITOR AC-VEID-CHO

BINDING SITE FOR CHAIN D OF PEPTIDE ALDEHYDE INHIBITOR AC-VEID-CHO