PPIRE17835

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 VKTFLEABE-NH2
Peptide_Sequence VKTFLEA
Peptide_Length 7
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)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 806.96
Aliphatic_Index 111.42857
Aromaticity 0.14286
Average_Rotatable_Bonds 3.71429
Charge_at_pH_7 -0.00054
Isoelectric_Point 6.40880
Hydrogen_Bond_Acceptors 11
Hydrogen_Bond_Donors 11
Topological_Polar_Surface_Area 321.47000
X_logP_energy -1.35360
Interaction Information
Affinity KD=2.1 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