PPIRE15027

Target Protein Information
Protein_Name T-cell receptor alpha chain constant/T-cell receptor beta-1 chain C region
Protein_Sequence IQNPEPAVYQLKDPRSQDSTLCLFTDFDSQINVPKTMESGTFITDKTVLDMKAMDSKSNGAIAWSNQTSFTCQDIFKETNATYPSSDVPCDATLTEKSFETDMNLNFQNLSVMGLRILLLKVAGFNLLMTLRLWSS/EDLRNVTPPKVSLFEPSKAEIANKQKATLVCLARGFFPDHVELSWWVNGKEVHSGVSTDPQAYKESNYSYCLSSRLRVSATFWHNPRNHFRCQVQFHGLSEEDKWPEGSPKPVTQNISAEAWGRADCGITSASYQQGVLSATILYEILLGKATLYAVLVSTLVVMAMVKRKNS
Organism_Source Mus musculus
Functional_Classification T-cell receptor
Cellular_Localization Plasma membrane
Gene_Names Trac/
UniProt_ID P01849/P01852
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name IEk/MCC(CD4 blockade)
Peptide_Sequence ANERADLIAYLKQATK
Peptide_Length 16
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)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 1805.06
Aliphatic_Index 98.12500
Aromaticity 0.06250
Average_Rotatable_Bonds 3.87500
Charge_at_pH_7 0.99876
Isoelectric_Point 9.25526
Number_of_Hydrogen_Bond_Acceptors 26
Number_of_Hydrogen_Bond_Donors 28
Topological_Polar_Surface_Area 815.00000
X_logP_energy -7.78103
Interaction Information
Affinity KD=1.63 mM
Affinity_Assay TR-FRET assay
PDB_ID None
Type Agonist
Structure
Reference Information
Document_Type Research Articles
Title TCR-peptide-MHC interactions in situ show accelerated kinetics and increased affinity.
Release_Year 2010
PMID 20164930
DOI 10.1038/nature08746