PPIRE10987

Target Protein Information
Protein_Name HLA class I histocompatibility antigen, B alpha chain
Protein_Sequence MLVMAPRTVLLLLSAALALTETWAGSHSMRYFYTSVSRPGRGEPRFISVGYVDDTQFVRFDSDAASPREEPRAPWIEQEGPEYWDRNTQIYKAQAQTDRESLRNLRGYYNQSEAGSHTLQSMYGCDVGPDGRLLRGHDQYAYDGKDYIALNEDLRSWTAADTAAQITQRKWEAAREAEQRRAYLEGECVEWLRRYLENGKDKLERADPPKTHVTHHPISDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDRTFQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRWEPSSQSTVPIVGIVAGLAVLAVVVIGAVVAAVMCRRKSSGGKGGSYSQAACSDSAQGSDVSLTA
Organism_Source Homo sapiens
Functional_Classification MHC class I receptor
Cellular_Localization Plasma membrane
Gene_Names HLA-B
UniProt_ID P01889
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name NY-ESO-160-72
Peptide_Sequence APRGPHGGAASGL
Peptide_Length 13
Peptide_SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)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 1147.26
Aliphatic_Index 53.07692
Aromaticity 0.00000
Average_Rotatable_Bonds 2.46154
Charge_at_pH_7 1.08889
Isoelectric_Point 10.55176
Number_of_Hydrogen_Bond_Acceptors 17
Number_of_Hydrogen_Bond_Donors 17
Topological_Polar_Surface_Area 505.75000
X_logP_energy -7.91893
Interaction Information
Affinity KD=41.5 uM
Affinity_Assay Surface plasmon resonance
PDB_ID 6AT6
Type Agonist
Structure
Reference Information
Document_Type Research Articles
Title Divergent T-cell receptor recognition modes of a HLA-I restricted extended tumour-associated peptide.
Release_Year 2018
PMID 29531227
DOI 10.1038/s41467-018-03321-w