PPIRE06056

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 p25/293-310
Peptide_Sequence FRDYVDRFYKTLRAEQAS
Peptide_Length 18
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=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](C)C(=O)N[C@@H](CO)C(=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 2265.51
Aliphatic_Index 48.88889
Aromaticity 0.22222
Average_Rotatable_Bonds 4.11111
Charge_at_pH_7 0.99865
Isoelectric_Point 9.14409
Number_of_Hydrogen_Bond_Acceptors 31
Number_of_Hydrogen_Bond_Donors 37
Topological_Polar_Surface_Area 1005.65000
X_logP_energy -8.86459
Interaction Information
Affinity IC50=0.2 mM
Affinity_Assay competitive radioligand binding assay
PDB_ID None
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Role of polymorphic residues of human leucocyte antigen-DR molecules on the binding of human immunodeficiency virus peptides.
Release_Year 1996
PMID 8778027
DOI 10.1046/j.1365-2567.1996.458547.x