PPIRE17834

Target Protein Information
Protein_Name E3 ubiquitin-protein ligase XIAP
Protein_Sequence MTFNSFEGSKTCVPADINKEEEFVEEFNRLKTFANFPSGSPVSASTLARAGFLYTGEGDTVRCFSCHAAVDRWQYGDSAVGRHRKVSPNCRFINGFYLENSATQSTNSGIQNGQYKVENYLGSRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFCCGGKLKNWEPCDRAWSEHRRHFPNCFFVLGRNLNIRSESDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTTEKTPSLTRRIDDTIFQNPMVQEAIRMGFSFKDIKKIMEEKIQISGSNYKSLEVLVADLVNAQKDSMQDESSQTSLQKEISTEEQLRRLQEEKLCKICMDRNIAIVFVPCGHLVTCKQCAEAVDKCPMCYTVITFKQKIFMS
Organism_Source Homo sapiens
Functional_Classification Ubiquitin ligases E3s
Cellular_Localization Cytoplasm
Gene_Names XIAP
UniProt_ID P98170
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name VRRFBBK-NH2
Peptide_Sequence VRRFXXK
Peptide_Length 7
Peptide_SMILES CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 818.98
Aliphatic_Index 41.42857
Aromaticity 0.14286
Average_Rotatable_Bonds 4.00000
Charge_at_pH_7 2.99768
Isoelectric_Point 12.51648
Number_of_Hydrogen_Bond_Acceptors 11
Number_of_Hydrogen_Bond_Donors 15
Topological_Polar_Surface_Area 387.74000
X_logP_energy -3.87586
Interaction Information
Affinity KD=0.85 uM
Affinity_Assay Surface Plasmon Resonance
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Determination of the Sequence Specificity of XIAP BIR Domains by Screening a Combinatorial Peptide Library
Release_Year 2006
PMID 17144666
DOI 10.1021/bi061782x