PPIPT00327

Target Protein Information
Protein_Name HLA class I histocompatibility antigen, A alpha chain
Protein_Sequence MAVMAPRTLLLLLSGALALTQTWAGSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDQETRNVKAQSQTDRVDLGTLRGYYNQSEAGSHTIQIMYGCDVGSDGRFLRGYRQDAYDGKDYIALNEDLRSWTAADMAAQITKRKWEAAHEAEQLRAYLDGTCVEWLRRYLENGKETLQRTDPPKTHMTHHPISDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRWELSSQPTIPIVGIIAGLVLLGAVITGAVVAAVMWRRKSSDRKGGSYTQAASSDSAQGSDVSLTACKV
Organism_Source Homo sapiens
Functional_Classification MHC class I molecule
Cellular_Localization Plasma membrane
Gene_Names HLA-A
UniProt_ID P04439
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name NY-ESO-1 157-165/HLA-A*02:01
Peptide_Sequence SLLMWITQC
Peptide_Length 9
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1094.35
Aliphatic_Index 130.00000
Aromaticity 0.11111
Average_Rotatable_Bonds 3.77778
Charge_at_pH_7 -0.06399
Isoelectric_point 5.92254
Number_of_Hydrogen_Bond_Acceptors 15
Number_of_Hydrogen_Bond_Donors 15
Topological_Polar_Surface_Area 395.46000
X_logP_energy -1.53950
Interaction Information
Affinity KD=9.8 nM
Affinity_Assay Surface Plasmon Resonance
PDB_ID None
Type Affinity ligand
Structure
Reference Information
Document_Type Patent
Title CONSTRUCTS TARGETING NY-ESO-1 PEPTIDE/MHC COMPLEXES AND USES THEREOF
Release_Year 2019
Patent_ID US20190382504A1