PPIRE02209

Target Protein Information
Protein_Name HLA class I histocompatibility antigen, B alpha chain
Protein_Sequence MLVMAPRTVLLLLSAALALTETWAGSHSMRYFYTSVSRPGRGEPRFISVGYVDDTQFVRFDSDAASPREEPRAPWIEQEGPEYWDRNTQIYKAQAQTDRESLRNLRGYYNQSEAGSHTLQSMYGCDVGPDGRLLRGHDQYAYDGKDYIALNEDLRSWTAADTAAQITQRKWEAAREAEQRRAYLEGECVEWLRRYLENGKDKLERADPPKTHVTHHPISDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDRTFQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRWEPSSQSTVPIVGIVAGLAVLAVVVIGAVVAAVMCRRKSSGGKGGSYSQAACSDSAQGSDVSLTA
Organism_Source Homo sapiens
Functional_Classification receptor
Cellular_Localization Plasma membrane
Gene_Names HLA-B
UniProt_ID P01889
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name LPEP
Peptide_Sequence LPEPLPQGQLTAY
Peptide_Length 13
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)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 1426.63
Aliphatic_Index 97.69231
Aromaticity 0.07692
Average_Rotatable_Bonds 3.07692
Charge_at_pH_7 -1.00109
Isoelectric_Point 3.84998
Number_of_Hydrogen_Bond_Acceptors 19
Number_of_Hydrogen_Bond_Donors 16
Topological_Polar_Surface_Area 550.09000
X_logP_energy -3.75100
Interaction Information
Affinity KD=50 uM
Affinity_Assay Surface plasmon resonance
PDB_ID 3KXF
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Hard wiring of T cell receptor specificity for the major histocompatibility complex is underpinned by TCR adaptability.
Release_Year 2010
PMID 20483993
DOI 10.1073/pnas.1004926107