PPIRE12603

Target Protein Information
Protein_Name HLA class II histocompatibility antigen, DRB1 beta chain
Protein_Sequence MVCLKLPGGSCMTALTVTLMVLSSPLALSGDTRPRFLWQPKRECHFFNGTERVRFLDRYFYNQEESVRFDSDVGEFRAVTELGRPDAEYWNSQKDILEQARAAVDTYCRHNYGVVESFTVQRRVQPKVTVYPSKTQPLQHHNLLVCSVSGFYPGSIEVRWFLNGQEEKAGMVSTGLIQNGDWTFQTLVMLETVPRSGEVYTCQVEHPSVTSPLTVEWRARSESAQSKMLSGVGGFVLGLLFLGAGLFIYFRNQKGHSGLQPTGFLS
Organism_Source Homo sapiens
Functional_Classification MHC class II molecules
Cellular_Localization Plasma membrane
Gene_Names HLA-DRB1
UniProt_ID P01911
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name pMART-1_100-116
Peptide_Sequence APPAYEKLXAEQSPPPP
Peptide_Length 17
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O
Chemical_Modification X9=phosphoserine
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1748.95
Aliphatic_Index 40.58824
Aromaticity 0.05882
Average_Rotatable_Bonds 2.64706
Charge_at_pH_7 -0.99961
Isoelectric_Point 4.25815
Number_of_Hydrogen_Bond_Acceptors 24
Number_of_Hydrogen_Bond_Donors 18
Topological_Polar_Surface_Area 660.35000
X_logP_energy -6.00580
Interaction Information
Affinity IC50=327 nM
Affinity_Assay competitive radioligand binding assay
PDB_ID None
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Structural basis for the presentation of tumor-associated MHC class II-restricted phosphopeptides to CD4+ T cells.
Release_Year 2010
PMID 20417641
DOI 10.1016/j.jmb.2010.04.037