PPIRE04609
Target Protein Information
| Protein_Name | Calpain-2 catalytic subunit |
|---|---|
| Protein_Sequence | MAGIAMKLAKDREAAEGLGSHERAIKYLNQDYETLRNECLEAGALFQDPSFPALPSSLGFKELGPYSSKTRGIEWKRPTEICADPQFIIGGATRTDICQGALGDCWLLAAIASLTLNEEILARVVPLDQSFQENYAGIFHFQFWQYGEWVEVVVDDRLPTKDGELLFVHSAEGSEFWSALLEKAYAKINGCYEALSGGATTEGFEDFTGGIAEWYELRKPPPNLFKIIQKALEKGSLLGCSIDITSAADSEAVTYQKLVKGHAYSVTGAEEVESSGSLQKLIRIRNPWGQVEWTGKWNDNCPSWNTVDPEVRANLTERQEDGEFWMSFSDFLRHYSRLEICNLTPDTLTCDSYKKWKLTKMDGNWRRGSTAGGCRNYPNTFWMNPQYLIKLEEEDEDDEDGERGCTFLVGLIQKHRRRQRKMGEDMHTIGFGIYEVPEELTGQTNIHLSKNFFLTTRARERSDTFINLREVLNRFKLPPGEYVLVPSTFEPHKNGDFCIRVFSEKKADYQTVDDEIEANIEEIEANEEDIGDGFRRLFAQLAGEDAEISAFELQTILRRVLAKREDIKSDGFSIETCKIMVDMLDEDGSGKLGLKEFYILWTKIQKYQKIYREIDVDRSGTMNSYEMRKALEEAGFKLPCQLHQVIVARFADDELIIDFDNFVRCLVRLEILFKIFKQLDPENTGTIQLDLISWLSFSVL |
| Organism_Source | Rattus norvegicus |
| Functional_Classification | cysteine proteases |
| Cellular_Localization | Cytoplasm |
| Gene_Names | Capn2 |
| UniProt_ID | Q07009 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | E64 |
|---|---|
| Peptide_Sequence | XLX |
| Peptide_Length | 3 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)CN)C(=O)NCC(=O)O |
| Chemical_Modification | X1=trans-epoxysuccinyl;X3=4-guanidinobutane |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Succinyl |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 245.28 |
|---|---|
| Aliphatic_Index | 130.00000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 2.33333 |
| Charge_at_pH_7 | -0.00202 |
| Isoelectric_Point | 6.10000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 4 |
| Number_of_Hydrogen_Bond_Donors | 4 |
| Topological_Polar_Surface_Area | 121.52000 |
| X_logP_energy | -1.32320 |
Interaction Information
| Affinity | IC50=55 mM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | 1TLO |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Crystal structures of calpain-E64 and -leupeptin inhibitor complexes reveal mobile loops gating the active site. |
| Release_Year | 2004 |
| PMID | 15491615 |
| DOI | 10.1016/j.jmb.2004.09.016 |