Structure for peptidase C14.004: caspase-7

Summary Gene structure Alignment Tree Sequences Sequence features Distribution Structure Literature Substrates Pharma

PDB	Organism	Resolution	Comment
1F1J	Homo sapiens	2.35 Å	complex with acetyl-Asp-Glu-Val-Asp-CHO
One molecule of the dimer is shown. Catalytic residues are shown in ball-and-stick representation: His144 in purple and Cys186 in yellow. Bound inhibitor is shown in grey in ball-and-stick representation.

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TERTIARY STRUCTURE DATA
Comment	Resolution	PDB	PDBe	SCOP	CATH	PDBSum	Proteopedia	Reference
Homo sapiens
complex with acetyl-Asp-Glu-Val-Asp-CHO	2.35 Å	1F1J	1F1J	1F1J	1F1J	1F1J	1F1J	Wei et al., 2000
precursor	2.90 Å	1GQF	1GQF	1GQF	1GQF	1GQF	1GQF	Riedl et al., 2001
complex with XIAP	2.40 Å	1I4O	1I4O	1I4O	1I4O	1I4O	1I4O	Huang et al., 2001
complex with XIAP inhibitor	2.45 Å	1I51	1I51	1I51	1I51	1I51	1I51	Chai et al., 2001
mature peptidase	2.60 Å	1K86	1K86	1K86	1K86	1K86	1K86	Chai et al., 2001
precursor	2.70 Å	1K88	1K88	1K88	1K88	1K88	1K88	Chai et al., 2001
complex with XIAP-BIR2	2.90 Å	1KMC	1KMC	1KMC	1KMC	1KMC	1KMC
theoretical model; complex with AC-DEVD inhibitor	0.00 Å	1MIA	1MIA	1MIA	1MIA	1MIA	1MIA
complex with dica allosteric inhibitor	2.80 Å	1SHJ	1SHJ	1SHJ	1SHJ	1SHJ	1SHJ	Hardy et al., 2004
complex with FICA allosteric inhibitor	3.00 Å	1SHL	1SHL	1SHL	1SHL	1SHL	1SHL	Hardy et al., 2004
complex with inhibitor Ac-DMQD-CHO	2.34 Å	2QL5	2QL5	2QL5	2QL5	2QL5	2QL5	Agniswamy et al., 2007
complex with inhibitor Ac-IEPD-CHO	2.40 Å	2QL7	2QL7	2QL7	2QL7	2QL7	2QL7	Agniswamy et al., 2007
complex with inhibitor Ac-DQMD-CHO	2.14 Å	2QL9	2QL9	2QL9	2QL9	2QL9	2QL9	Agniswamy et al., 2007
complex with inhibitor Ac-ESMD-CHO	2.25 Å	2QLB	2QLB	2QLB	2QLB	2QLB	2QLB	Agniswamy et al., 2007
complex with inhibitor Ac-DNLD-CHO	2.80 Å	2QLF	2QLF	2QLF	2QLF	2QLF	2QLF	Agniswamy et al., 2007
complex with inhibitor Ac-WEHD-CHO	2.60 Å	2QLJ	2QLJ	2QLJ	2QLJ	2QLJ	2QLJ	Agniswamy et al., 2007
complex with acetyl- LDESD-CHO	2.45 Å	3EDR	3EDR	3EDR	3EDR	3EDR	3EDR	Fu et al., 2008
mature caspase-7 i213a with devd-cho inhibitor bound to active site peptidase	2.61 Å	3H1P	3H1P	3H1P	3H1P	3H1P	3H1P
complex with acetyl-yvad- cho	2.75 Å	3IBC	3IBC	3IBC	3IBC	3IBC	3IBC
crystal structure of unliganded caspase-7	2.50 Å	3IBF	3IBF	3IBF	3IBF	3IBF	3IBF
redox-controlled	2.86 Å	3R5K	3R5K	3R5K	3R5K	3R5K	3R5K
crystal structure of caspase-7	2.80 Å	4FDL	4FDL	4FDL	4FDL	4FDL	4FDL
complex with allosteric inhibitor	3.79 Å	4FEA	4FEA	4FEA	4FEA	4FEA	4FEA
crystal structure of mutant form of caspase-7	3.00 Å	4HQ0	4HQ0	4HQ0	4HQ0	4HQ0	4HQ0
crystal structure of mutant form of caspase-7	3.00 Å	4HQR	4HQR	4HQR	4HQR	4HQR	4HQR
complex with darpin c7_16	1.70 Å	4JB8	4JB8	4JB8	4JB8	4JB8	4JB8
caspase-3 specific unnatural amino acid peptides	2.94 Å	4JJ8	4JJ8	4JJ8	4JJ8	4JJ8	4JJ8
precursor in complex with Ac-DEVD-CMK	2.15 Å	4JR1	4JR1	4JR1	4JR1	4JR1	4JR1	Thomsen et al., 2013
human procaspase-7/caspase-7 heterodimer bound to ac-devd-cmk	1.65 Å	4JR2	4JR2	4JR2	4JR2	4JR2	4JR2
complex with darpin d7.18	2.26 Å	4LSZ	4LSZ	4LSZ	4LSZ	4LSZ	4LSZ
caspase-7 variant 4 (v4) with reprogrammed substrate specificity due to y230v/w232y/s234v/q276d substitutions bound to veid inhibitor.	2.85 Å	4ZVO	4ZVO	4ZVO	4ZVO	4ZVO	4ZVO
caspase-7 variant 2 (v2) with reprogrammed substrate specificity due to y230v/w232m/q276c substitutions bound to devd inhibitor.	2.50 Å	4ZVP	4ZVP	4ZVP	4ZVP	4ZVP	4ZVP
caspase-7 variant 2 (v2) with reprogrammed substrate specificity due to y230v/w232m/q276c substitutions bound to veid inhibitor.	2.50 Å	4ZVQ	4ZVQ	4ZVQ	4ZVQ	4ZVQ	4ZVQ
caspase-7 variant 4 (v4) with reprogrammed substrate specificity due to y230v/w232y/s234v/q276d substitutions bound to devd inhibitor.	2.30 Å	4ZVR	4ZVR	4ZVR	4ZVR	4ZVR	4ZVR
caspase-7 variant 1 (v1) with reprogrammed substrate specificity due to y230a/w232m/s234n substitutions, bound to devd inhibitor.	2.50 Å	4ZVS	4ZVS	4ZVS	4ZVS	4ZVS	4ZVS
caspase-7 variant 1 (v1) with reprogrammed substrate specificity due to y230a/w232m/s234n substitutions, bound to veid inhibitor.	2.85 Å	4ZVT	4ZVT	4ZVT	4ZVT	4ZVT	4ZVT
caspase-7 wild-type bound to the caspase-6 cognate tetrapeptide inhibitor ac-veid-cho	2.60 Å	4ZVU	4ZVU	4ZVU	4ZVU	4ZVU	4ZVU
complex with DEVE peptide	2.70 Å	5IC6	5IC6	5IC6	5IC6	5IC6	5IC6
caspase-7 s239e phosphomimetic	2.20 Å	5K20	5K20	5K20	5K20	5K20	5K20
crystal structure of human caspase-7 soaked with allosteric inhibitor 2-[(2-acetylphenyl)sulfanyl]benzoic acid	2.80 Å	5V6U	5V6U	5V6U	5V6U	5V6U	5V6U
crystal structure of human caspase-7 soaked with allosteric inhibitor 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylbenzoic acid	2.60 Å	5V6Z	5V6Z	5V6Z	5V6Z	5V6Z	5V6Z
complex with ac-dw3-ke	2.65 Å	6CL1	6CL1	6CL1	6CL1	6CL1	6CL1
complex with ac-ats009-ke	2.35 Å	6CL2	6CL2	6CL2	6CL2	6CL2	6CL2