PPIRE01177

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 Collagen Type II259-273
Peptide_Sequence GIAGFKGEQGPKGEP
Peptide_Length 15
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=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 1471.63
Aliphatic_Index 32.66667
Aromaticity 0.06667
Average_Rotatable_Bonds 3.20000
Charge_at_pH_7 0.00094
Isoelectric_Point 6.53076
Number_of_Hydrogen_Bond_Acceptors 21
Number_of_Hydrogen_Bond_Donors 19
Topological_Polar_Surface_Area 622.87000
X_logP_energy -7.08330
Interaction Information
Affinity IC50=142.63 uM
Affinity_Assay Fluorescence Polarization
PDB_ID None
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title The interplay between citrullination and HLA-DRB1 polymorphism in shaping peptide binding hierarchies in rheumatoid arthritis.
Release_Year 2018
PMID 29317506
DOI 10.1074/jbc.RA117.001013