PPIRE06806

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 4
Peptide_Sequence KPFKPF
Peptide_Length 6
Peptide_SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Chemical_Modification None
Cyclization_Method main chain-main chain cyclization; K1<->F6; amide bond
Linear/Cyclic Cyclic
N-terminal_Modification None
C-terminal_Modification None
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 762.95
Aliphatic_Index 0.00000
Aromaticity 0.33333
Average_Rotatable_Bonds 3.50000
Charge_at_pH_7 1.99739
Isoelectric_Point 10.80538
Number_of_Hydrogen_Bond_Acceptors 9
Number_of_Hydrogen_Bond_Donors 7
Topological_Polar_Surface_Area 243.28000
X_logP_energy 0.57810
Interaction Information
Affinity Ki=4800 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