PPIRE03649
Target Protein Information
| Protein_Name | E3 ubiquitin-protein ligase XIAP |
|---|---|
| Protein_Sequence | MTFNSFEGSKTCVPADINKEEEFVEEFNRLKTFANFPSGSPVSASTLARAGFLYTGEGDTVRCFSCHAAVDRWQYGDSAVGRHRKVSPNCRFINGFYLENSATQSTNSGIQNGQYKVENYLGSRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFCCGGKLKNWEPCDRAWSEHRRHFPNCFFVLGRNLNIRSESDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTTEKTPSLTRRIDDTIFQNPMVQEAIRMGFSFKDIKKIMEEKIQISGSNYKSLEVLVADLVNAQKDSMQDESSQTSLQKEISTEEQLRRLQEEKLCKICMDRNIAIVFVPCGHLVTCKQCAEAVDKCPMCYTVITFKQKIFMS |
| Organism_Source | Homo sapiens |
| Functional_Classification | E3 ubiquitin ligase adaptors |
| Cellular_Localization | Cytoplasm |
| Gene_Names | XIAP |
| UniProt_ID | P98170 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | None |
|---|---|
| Peptide_Sequence | AVPIAQKSE |
| Peptide_Length | 9 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
| Chemical_Modification | None |
| 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 | 942.08 |
|---|---|
| Aliphatic_Index | 97.77778 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 3.33333 |
| Charge_at_pH_7 | -0.00054 |
| Isoelectric_Point | 6.40880 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 14 |
| Number_of_Hydrogen_Bond_Donors | 13 |
| Topological_Polar_Surface_Area | 413.97000 |
| X_logP_energy | -4.22360 |
Interaction Information
| Affinity | KD=427 nM |
|---|---|
| Affinity_Assay | Bio-Layer Interferometry |
| PDB_ID | 1G3F |
| Type | antagonist |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Development of QSAR-Improved Statistical Potential for the Structure-Based Analysis of Protein?Peptide Binding Affinities. |
| Release_Year | 2013 |
| PMID | 27480231 |
| DOI | 10.1002/minf.201300064 |