PPIRE12518

Target Protein Information
Protein_Name Tumor necrosis factor ligand superfamily member 13
Protein_Sequence MPASSPGHMGGSVREPALSVALWLSWGAVLGAVTCAVALLIQQTELQSLRREVSRLQRSGGPSQKQGERPWQSLWEQSPDVLEAWKDGAKSRRRRAVLTQKHKKKHSVLHLVPVNITSKADSDVTEVMWQPVLRRGRGLEAQGDIVRVWDTGIYLLYSQVLFHDVTFTMGQVVSREGQGRRETLFRCIRSMPSDPDRAYNSCYSAGVFHLHQGDIITVKIPRANAKLSLSPHGTFLGFVKL
Organism_Source Mus musculus
Functional_Classification TNF ligand superfamily
Cellular_Localization Extracellular
Gene_Names Tnfsf13
UniProt_ID Q9D777
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name 9.12
Peptide_Sequence LQCRYDQLIEEWRCEY
Peptide_Length 16
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
Chemical_Modification None
Cyclization_Method Side chain-side chain cyclization; C2<->C14; disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2147.41
Aliphatic_Index 73.12500
Aromaticity 0.18750
Average_Rotatable_Bonds 4.37500
Charge_at_pH_7 -2.12190
Isoelectric_Point 4.14752
Number_of_Hydrogen_Bond_Acceptors 29
Number_of_Hydrogen_Bond_Donors 34
Topological_Polar_Surface_Area 915.25000
X_logP_energy -5.58456
Interaction Information
Affinity IC50=27 uM
Affinity_Assay BIAcore competition assay
PDB_ID None
Type antagonist
Structure
Reference Information
Document_Type Research Articles
Title Multiple novel classes of APRIL-specific receptor-blocking peptides isolated by phage display.
Release_Year 2010
PMID 19945466
DOI 10.1016/j.jmb.2009.11.041