PPIRE05894
Target Protein Information
| Protein_Name | Caspase-7 |
|---|---|
| Protein_Sequence | MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ |
| Organism_Source | Homo sapiens |
| Functional_Classification | cysteine proteases |
| Cellular_Localization | Cytoplasm |
| Gene_Names | CASP7 |
| UniProt_ID | P55210 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Ac-3Pal-D-betahLeu-hLeu-D-AOMK |
|---|---|
| Peptide_Sequence | XDXXD |
| Peptide_Length | 5 |
| Peptide_SMILES | NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)O |
| Chemical_Modification | X1=3-pyridylalanine; X3=beta-homoleucine; X4=homoleucine |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Acetyl |
| C-terminal_Modification | acyloxymethyl ketone |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 419.35 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 2.60000 |
| Charge_at_pH_7 | -2.00112 |
| Isoelectric_Point | 3.49188 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 8 |
| Number_of_Hydrogen_Bond_Donors | 8 |
| Topological_Polar_Surface_Area | 254.32000 |
| X_logP_energy | -4.81890 |
Interaction Information
| Affinity | IC50=0.73 uM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | 4JJ8 |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Selective detection of caspase-3 versus caspase-7 using activity-based probes with key unnatural amino acids. |
| Release_Year | 2013 |
| PMID | 23614665 |
| DOI | 10.1021/cb400209w |