PPIRE03001
Target Protein Information
| Protein_Name | Caspase-8 |
|---|---|
| Protein_Sequence | MDFSRNLYDIGEQLDSEDLASLKFLSLDYIPQRKQEPIKDALMLFQRLQEKRMLEESNLSFLKELLFRINRLDLLITYLNTRKEEMERELQTPGRAQISAYRVMLYQISEEVSRSELRSFKFLLQEEISKCKLDDDMNLLDIFIEMEKRVILGEGKLDILKRVCAQINKSLLKIINDYEEFSKERSSSLEGSPDEFSNGEELCGVMTISDSPREQDSESQTLDKVYQMKSKPRGYCLIINNHNFAKAREKVPKLHSIRDRNGTHLDAGALTTTFEELHFEIKPHDDCTVEQIYEILKIYQLMDHSNMDCFICCILSHGDKGIIYGTDGQEAPIYELTSQFTGLKCPSLAGKPKVFFIQACQGDNYQKGIPVETDSEEQPYLEMDLSSPQTRYIPDEADFLLGMATVNNCVSYRNPAEGTWYIQSLCQSLRERCPRGDDILTILTEVNYEVSNKDDKKNMGKQMPQPTFTLRKKLVFPSD |
| Organism_Source | Homo sapiens |
| Functional_Classification | Enzyme |
| Cellular_Localization | Cytoplasm |
| Gene_Names | CASP8 |
| UniProt_ID | Q14790 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Ac-IETD-aldehyde |
|---|---|
| Peptide_Sequence | IETD |
| Peptide_Length | 4 |
| Peptide_SMILES | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Acetyl |
| C-terminal_Modification | other |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 476.48 |
|---|---|
| Aliphatic_Index | 97.50000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 3.75000 |
| Charge_at_pH_7 | -1.99979 |
| Isoelectric_Point | 3.55007 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 8 |
| Number_of_Hydrogen_Bond_Donors | 8 |
| Topological_Polar_Surface_Area | 245.45000 |
| X_logP_energy | -2.38090 |
Interaction Information
| Affinity | IC50=50 nM |
|---|---|
| Affinity_Assay | NMR chemical shift perturbation |
| PDB_ID | 1QTN |
| Type | Affinity ligand |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | The atomic-resolution structure of human caspase-8, a key activator of apoptosis. |
| Release_Year | 1999 |
| PMID | 10508785 |
| DOI | 10.1016/s0969-2126(99)80180-4 |