PPIRE15909

Target Protein Information
Protein_Name Tumor necrosis factor
Protein_Sequence MSTESMIRDVELAEEALPKKTGGPQGSRRCLFLSLFSFLIVAGATTLFCLLHFGVIGPQREEFPRDLSLISPLAQAVRSSSRTPSDKPVAHVVANPQAEGQLQWLNRRANALLANGVELRDNQLVVPSEGLYLIYSQVLFKGQGCPSTHVLLTHTISRIAVSYQTKVNLLSAIKSPCQRETPEGAEAKPWYEPIYLGGVFQLEKGDRLSAEINRPDYLDFAESGQVYFGIIAL
Organism_Source Homo sapiens
Functional_Classification tumor necrosis factor family
Cellular_Localization Extracellular
Gene_Names TNF
UniProt_ID P01375
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name TNF4-Y1W
Peptide_Sequence WGPSDAFKITRFHQQSSGSC
Peptide_Length 20
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2239.45
Aliphatic_Index 24.50000
Aromaticity 0.15000
Average_Rotatable_Bonds 3.50000
Charge_at_pH_7 1.02707
Isoelectric_Point 8.55268
Number_of_Hydrogen_Bond_Acceptors 33
Number_of_Hydrogen_Bond_Donors 35
Topological_Polar_Surface_Area 964.45000
X_logP_energy -12.70253
Interaction Information
Affinity KD=380 nM
Affinity_Assay Surface Plasmon Resonance
PDB_ID None
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Thermodynamic Additivity of Sequence Variations: An Algorithm for Creating High Affinity Peptides Without Large Libraries or Structural Information
Release_Year 2010
PMID 21085650
DOI 10.1371/journal.pone.0015432