Cloned (Comment) | Organism |
---|---|
expression in Escherichia coli strain BL21(DE3) | Homo sapiens |
Crystallization (Comment) | Organism |
---|---|
recombinant enzyme in complex with inhibitors Ac-IEPD-Cho, Ac-WEHD-Cho, Ac-YVADCho, and Boc-D(OMe)-fluoromethyl ketone, caspase-3 is incubated at room temperature with the inhibitor at 10 to 20fold molar excess, followed by crystallization via the hanging-drop vapor diffusion method, 0.001 ml of 4 mg/ml protein in solution is mixed with an equal volume of mother liquid containing 100 mM sodium citrate, 5% glycerol, 10 mM DTT, and 14-18% PEG 6000, pH 6.5, 24 h at room temperature, X-ray diffraction structure determination and analysis at 1.9-2.6 A resolution, molecular replacement, modelling, overview | Homo sapiens |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
Ac-DEVD-CHO | - |
Homo sapiens | |
Ac-DMQD-CHO | - |
Homo sapiens | |
Ac-DQMD-CHO | - |
Homo sapiens | |
Ac-IEPD-CHO | a reversible aldehyde caspase-3 inhibitor, bound in extended conformation in the S1-S4 substrate binding sites of caspase-3, binding structure with hydrogen bond and ionic interactions, overview | Homo sapiens | |
Ac-WEHD-CHO | a reversible aldehyde caspase-3 inhibitor, bound in extended conformation in the S1-S4 substrate binding sites of caspase-3, binding structure with hydrogen bond and ionic interactions, overview | Homo sapiens | |
Ac-YVAD-CHO | a reversible aldehyde caspase-3 inhibitor, bound in extended conformation in the S1-S4 substrate binding sites of caspase-3, binding structure with hydrogen bond and ionic interactions, overview | Homo sapiens | |
Boc-D(OMe)-fluoromethyl ketone | a pan-caspase irreversible inhibitor | Homo sapiens |
KM Value [mM] | KM Value Maximum [mM] | Substrate | Comment | Organism | Structure |
---|---|---|---|---|---|
0.0625 | - |
DEVD-4-nitroanilide | - |
Homo sapiens |
Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
---|---|---|---|---|---|---|
additional information | Homo sapiens | caspases are key effectors in the processes of apoptosis and inflammation, executioner caspases selectively hydrolyze cellular proteins in the pathways leading to cell death | ? | - |
? |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Homo sapiens | P42574 | - |
- |
Purification (Comment) | Organism |
---|---|
recombinant enzyme from Escherichia coli by nickel affinity chromatography, ion exchange chromatography, and gel filtration | Homo sapiens |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
DEVD-4-nitroanilide + H2O | - |
Homo sapiens | DEVD + 4-nitroaniline | - |
? | |
additional information | caspases are key effectors in the processes of apoptosis and inflammation, executioner caspases selectively hydrolyze cellular proteins in the pathways leading to cell death | Homo sapiens | ? | - |
? | |
additional information | caspase-3 recognizes various P4 residues in its numerous protein substrates, Asp is the most frequent P4 residue in peptide substrates. Although a wide variety of P4 residues in the cellular proteins are cleaved by caspase-3. Hydrophobic residues appear in the relative frequency of Val-Ala-Leu-Met-Phe-Ile/Cys in descending order. The P4 residues forms favorable hydrophobic interactions in two separate hydrophobic regions of the binding site. The side chains of P4 Ile and Tyr form hydrophobic interactions with caspase-3 residues Trp206 and Trp214 within a non-polar pocket of the S4 subsite, while P4 Trp interacts with Phe250 and Phe252 that can also form the S5 subsite, adaptability of caspase-3 for binding diverse P4 residues, substrate specificity, overview | Homo sapiens | ? | - |
? |
Synonyms | Comment | Organism |
---|---|---|
More | caspase-3 belongs to the group of executioner caspases of the family of cysteine aspartyl proteases | Homo sapiens |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.0000012 | - |
- |
Homo sapiens | Ac-DEVD-CHO | |
0.000012 | - |
- |
Homo sapiens | Ac-DMQD-CHO | |
0.0012 | - |
- |
Homo sapiens | Ac-IEPD-CHO | |
0.0019 | - |
- |
Homo sapiens | Ac-WEHD-CHO | |
0.01 | - |
- |
Homo sapiens | Ac-YVAD-CHO |