PPIRE02388

Target Protein Information
Protein_Name HLA class II histocompatibility antigen, DQ alpha 1 chain
Protein_Sequence MILNKALMLGALALTTVMSPCGGEDIVADHVASYGVNLYQSYGPSGQYTHEFDGDEQFYVDLGRKETVWCLPVLRQFRFDPQFALTNIAVLKHNLNSLIKRSNSTAATNEVPEVTVFSKSPVTLGQPNILICLVDNIFPPVVNITWLSNGHSVTEGVSETSFLSKSDHSFFKISYLTLLPSAEESYDCKVEHWGLDKPLLKHWEPEIPAPMSELTETVVCALGLSVGLVGIVVGTVFIIRGLRSVGASRHQGPL
Organism_Source Homo sapiens
Functional_Classification Immune-related protein
Cellular_Localization Plasma membrane
Gene_Names HLA-DQA1
UniProt_ID P01909
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name PMM260-274
Peptide_Sequence DRLLMLFAKDVVSRN
Peptide_Length 15
Peptide_SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(C)C)C(C)C
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1777.11
Aliphatic_Index 123.33333
Aromaticity 0.06667
Average_Rotatable_Bonds 4.06667
Charge_at_pH_7 0.99858
Isoelectric_Point 9.69016
Number_of_Hydrogen_Bond_Acceptors 24
Number_of_Hydrogen_Bond_Donors 27
Topological_Polar_Surface_Area 758.46000
X_logP_energy -5.87586
Interaction Information
Affinity KD=154 uM
Affinity_Assay Surface plasmon resonance
PDB_ID None
Type Agonist
Structure
Reference Information
Document_Type Research Articles
Title Crossreactivity of a human autoimmune TCR is dominated by a single TCR loop.
Release_Year 2013
PMID 24136005
DOI 10.1038/ncomms3623