PPIRE11427

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 Cit11
Peptide_Sequence FDSXGNPTVEDVLF
Peptide_Length 14
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Chemical_Modification X4=Citrulline
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1496.59
Aliphatic_Index 69.28571
Aromaticity 0.14286
Average_Rotatable_Bonds 3.21429
Charge_at_pH_7 -2.99935
Isoelectric_Point 3.38003
Number_of_Hydrogen_Bond_Acceptors 21
Number_of_Hydrogen_Bond_Donors 20
Topological_Polar_Surface_Area 628.28000
X_logP_energy -6.62410
Interaction Information
Affinity IC50=25 uM
Affinity_Assay competitive radioligand binding assay
PDB_ID None
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