PPIRE11595

Target Protein Information
Protein_Name HLA class I histocompatibility antigen, A alpha chain
Protein_Sequence MAVMAPRTLLLLLSGALALTQTWAGSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDQETRNVKAQSQTDRVDLGTLRGYYNQSEAGSHTIQIMYGCDVGSDGRFLRGYRQDAYDGKDYIALNEDLRSWTAADMAAQITKRKWEAAHEAEQLRAYLDGTCVEWLRRYLENGKETLQRTDPPKTHMTHHPISDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRWELSSQPTIPIVGIIAGLVLLGAVITGAVVAAVMWRRKSSDRKGGSYTQAASSDSAQGSDVSLTACKV
Organism_Source Homo sapiens
Functional_Classification major histocompatibility complex class I
Cellular_Localization Plasma membrane
Gene_Names HLA-A
UniProt_ID P04439
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name LB-SSR1-1S
Peptide_Sequence VLFRGGPRGSLAVA
Peptide_Length 14
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)C(C)C
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1399.66
Aliphatic_Index 111.42857
Aromaticity 0.07143
Average_Rotatable_Bonds 3.07143
Charge_at_pH_7 1.99798
Isoelectric_Point 12.50011
Number_of_Hydrogen_Bond_Acceptors 18
Number_of_Hydrogen_Bond_Donors 21
Topological_Polar_Surface_Area 576.86000
X_logP_energy -5.69336
Interaction Information
Affinity IC50=78 nM
Affinity_Assay HLA competition refolding assay
PDB_ID None
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Naturally processed non-canonical HLA-A*02:01 presented peptides.
Release_Year 2015
PMID 25505266
DOI 10.1074/jbc.M114.607028