PPIRE11445

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 HLA-A2(104-117)
Peptide_Sequence GSDWRFLRGYHQYA
Peptide_Length 14
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)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 1755.91
Aliphatic_Index 35.00000
Aromaticity 0.28571
Average_Rotatable_Bonds 3.78571
Charge_at_pH_7 1.08763
Isoelectric_Point 9.17364
Number_of_Hydrogen_Bond_Acceptors 23
Number_of_Hydrogen_Bond_Donors 28
Topological_Polar_Surface_Area 750.97000
X_logP_energy -5.88236
Interaction Information
Affinity IC50=36 nM
Affinity_Assay Fluorescence Polarization
PDB_ID 1AQD
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Susceptibility to HLA-DM protein is determined by a dynamic conformation of major histocompatibility complex class II molecule bound with peptide.
Release_Year 2014
PMID 25002586
DOI 10.1074/jbc.M114.585539