PPIRE12063

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
Cellular_Localization Plasma membrane
Gene_Names HLA-DRB1
UniProt_ID P01911
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Cit26
Peptide_Sequence TSKGLFXAAVPSGAS
Peptide_Length 15
Peptide_SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)O)C(C)C
Chemical_Modification X6=Citrulline
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1349.51
Aliphatic_Index 65.33333
Aromaticity 0.06667
Average_Rotatable_Bonds 2.73333
Charge_at_pH_7 0.99769
Isoelectric_Point 9.70000
Number_of_Hydrogen_Bond_Acceptors 21
Number_of_Hydrogen_Bond_Donors 20
Topological_Polar_Surface_Area 568.87000
X_logP_energy -8.92290
Interaction Information
Affinity IC50=1.5 uM
Affinity_Assay competitive radioligand binding assay
PDB_ID 5JLZ
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Functional and Structural Characterization of a Novel HLA-DRB1*04:01-Restricted Alpha-Enolase T Cell Epitope in Rheumatoid Arthritis.
Release_Year 2016
PMID 27895642
DOI 10.3389/fimmu.2016.00494