PPIRE11388

Target Protein Information
Protein_Name Tumor necrosis factor ligand superfamily member 13B
Protein_Sequence MDDSTEREQSRLTSCLKKREEMKLKECVSILPRKESPSVRSSKDGKLLAATLLLALLSCCLTVVSFYQVAALQGDLASLRAELQGHHAEKLPAGAGAPKAGLEEAPAVTAGLKIFEPPAPGEGNSSQNSRNKRAVQGPEETVTQDCLQLIADSETPTIQKGSYTFVPWLLSFKRGSALEEKENKILVKETGYFFIYGQVLYTDKTYAMGHLIQRKKVHVFGDELSLVTLFRCIQNMPETLPNNSCYSAGIAKLEEGDELQLAIPRENAQISLDGDVTFFGALKLL
Organism_Source Homo sapiens
Functional_Classification TNF family
Cellular_Localization Extracellular
Gene_Names TNFSF13B
UniProt_ID Q9Y275
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name DX-819
Peptide_Sequence ANWYDPLTKLWFPD
Peptide_Length 14
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Acetyl
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1765.99
Aliphatic_Index 62.85714
Aromaticity 0.28571
Average_Rotatable_Bonds 3.42857
Charge_at_pH_7 -1.00227
Isoelectric_Point 4.10925
Number_of_Hydrogen_Bond_Acceptors 21
Number_of_Hydrogen_Bond_Donors 21
Topological_Polar_Surface_Area 639.79000
X_logP_energy -1.20120
Interaction Information
Affinity KD=69 nM
Affinity_Assay fluorescence anisotropy
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Discovery of high-affinity peptide binders to BLyS by phage display.
Release_Year 2005
PMID 15382264
DOI 10.1002/jmr.722