PPIRE05336
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-YVAD-Cho |
|---|---|
| Peptide_Sequence | YVAD |
| Peptide_Length | 4 |
| Peptide_SMILES | CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Acetyl |
| C-terminal_Modification | aldehyde |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 466.49 |
|---|---|
| Aliphatic_Index | 97.50000 |
| Aromaticity | 0.25000 |
| Average_Rotatable_Bonds | 3.00000 |
| Charge_at_pH_7 | -1.00242 |
| Isoelectric_Point | 3.74999 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 7 |
| Number_of_Hydrogen_Bond_Donors | 7 |
| Topological_Polar_Surface_Area | 208.15000 |
| X_logP_energy | -1.04840 |
Interaction Information
| Affinity | Ki=12.4 uM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | 3IBC |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Conformational similarity in the activation of caspase-3 and -7 revealed by the unliganded and inhibited structures of caspase-7. |
| Release_Year | 2009 |
| PMID | 19655253 |
| DOI | 10.1007/s10495-009-0388-9 |