PPIRE15901

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 TNF1-D4YM7K
Peptide_Sequence FERYPLKMPWSFLQSRQGSC
Peptide_Length 20
Peptide_SMILES CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)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 2460.85
Aliphatic_Index 39.00000
Aromaticity 0.20000
Average_Rotatable_Bonds 3.85000
Charge_at_pH_7 1.93663
Isoelectric_Point 9.44689
Number_of_Hydrogen_Bond_Acceptors 33
Number_of_Hydrogen_Bond_Donors 35
Topological_Polar_Surface_Area 968.65000
X_logP_energy -7.78566
Interaction Information
Affinity KD=17 mM
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