PPIRE05249
Target Protein Information
| Protein_Name | E3 ubiquitin-protein ligase XIAP |
|---|---|
| Protein_Sequence | MTFNSFEGSKTCVPADINKEEEFVEEFNRLKTFANFPSGSPVSASTLARAGFLYTGEGDTVRCFSCHAAVDRWQYGDSAVGRHRKVSPNCRFINGFYLENSATQSTNSGIQNGQYKVENYLGSRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFCCGGKLKNWEPCDRAWSEHRRHFPNCFFVLGRNLNIRSESDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTTEKTPSLTRRIDDTIFQNPMVQEAIRMGFSFKDIKKIMEEKIQISGSNYKSLEVLVADLVNAQKDSMQDESSQTSLQKEISTEEQLRRLQEEKLCKICMDRNIAIVFVPCGHLVTCKQCAEAVDKCPMCYTVITFKQKIFMS |
| Organism_Source | Homo sapiens |
| Functional_Classification | inhibitor of apoptosis proteins |
| Cellular_Localization | Cytoplasm |
| Gene_Names | XIAP |
| UniProt_ID | P98170 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Compound 2 |
|---|---|
| Peptide_Sequence | XKPF |
| Peptide_Length | 4 |
| Peptide_SMILES | NCCCC[C@H](NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O |
| Chemical_Modification | X1=N-methylalanine |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 447.53 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.25000 |
| Average_Rotatable_Bonds | 3.00000 |
| Charge_at_pH_7 | 0.99769 |
| Isoelectric_Point | 9.70000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 6 |
| Number_of_Hydrogen_Bond_Donors | 5 |
| Topological_Polar_Surface_Area | 167.85000 |
| X_logP_energy | -0.63800 |
Interaction Information
| Affinity | Ki=11.7 uM |
|---|---|
| Affinity_Assay | Fluorescence Polarization |
| PDB_ID | None |
| Type | antagonist |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Interaction of a cyclic, bivalent smac mimetic with the x-linked inhibitor of apoptosis protein. |
| Release_Year | 2008 |
| PMID | 18717598 |
| DOI | 10.1021/bi800785y |