PPIRE17033

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 Smac-1F
Peptide_Sequence AKPFXAKPFK
Peptide_Length 10
Peptide_SMILES C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O
Chemical_Modification X5=adipic acid; K10=5-FAM
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1090.33
Aliphatic_Index 20.00000
Aromaticity 0.20000
Average_Rotatable_Bonds 3.30000
Charge_at_pH_7 2.99710
Isoelectric_Point 11.10307
Number_of_Hydrogen_Bond_Acceptors 14
Number_of_Hydrogen_Bond_Donors 12
Topological_Polar_Surface_Area 385.70000
X_logP_energy -1.68250
Interaction Information
Affinity KD=2 nM
Affinity_Assay Fluorescence Polarization
PDB_ID None
Type Antagonist
Structure
Reference Information
Document_Type Research Articles
Title Design and characterization of bivalent Smac-based peptides as antagonists of XIAP and development and validation of a fluorescence polarization assay for XIAP containing both BIR2 and BIR3 domains
Release_Year 2008
PMID 18023397
DOI 10.1016/j.ab.2007.10.032