PPIRE09772

Target Protein Information
Protein_Name Tumor necrosis factor
Protein_Sequence MSTESMIRDVELAEEALPKKTGGPQGSRRCLFLSLFSFLIVAGATTLFCLLHFGVIGPQREEFPRDLSLISPLAQAVRSSSRTPSDKPVAHVVANPQAEGQLQWLNRRANALLANGVELRDNQLVVPSEGLYLIYSQVLFKGQGCPSTHVLLTHTISRIAVSYQTKVNLLSAIKSPCQRETPEGAEAKPWYEPIYLGGVFQLEKGDRLSAEINRPDYLDFAESGQVYFGIIAL
Organism_Source Homo sapiens
Functional_Classification tumor necrosis factors
Cellular_Localization Extracellular
Gene_Names TNF
UniProt_ID P01375
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name M9
Peptide_Sequence CPPCVWQVFC
Peptide_Length 10
Peptide_SMILES CC(C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)O
Chemical_Modification None
Cyclization_Method Multi-point cyclization; C1<->C4; other bonds; C1<->C10; other bonds; C4<->C10; other bonds
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1181.45
Aliphatic_Index 58.00000
Aromaticity 0.20000
Average_Rotatable_Bonds 2.90000
Charge_at_pH_7 -0.18794
Isoelectric_Point 5.75931
Number_of_Hydrogen_Bond_Acceptors 15
Number_of_Hydrogen_Bond_Donors 14
Topological_Polar_Surface_Area 366.52000
X_logP_energy -0.89250
Interaction Information
Affinity KD=7.6 nM
Affinity_Assay Fluorescence Polarization
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Subunit disassembly and inhibition of TNFAlpha by a semi-synthetic bicyclic peptide.
Release_Year 2015
PMID 25614525
DOI 10.1093/protein/gzu055