PPIRE08203
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 3 |
|---|---|
| Peptide_Sequence | XKPFXKPF |
| Peptide_Length | 8 |
| Peptide_SMILES | NCCCC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O |
| Chemical_Modification | X1=N-methylalanine; X5=N-methylalanine |
| Cyclization_Method | main chain-main chain cyclization; X1<->F8; amide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | None |
| C-terminal_Modification | None |
| Amino_Acid_Distribution | |
|
|
|
Peptide Physicochemical
| Molecular_Weight | 877.05 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.25000 |
| Average_Rotatable_Bonds | 3.12500 |
| Charge_at_pH_7 | 1.99739 |
| Isoelectric_Point | 10.80538 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 11 |
| Number_of_Hydrogen_Bond_Donors | 9 |
| Topological_Polar_Surface_Area | 301.48000 |
| X_logP_energy | -1.18950 |
Interaction Information
| Affinity | IC50=406 nM |
|---|---|
| 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 |