PPIRE02389

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 UL15154-166
Peptide_Sequence FRQLVHFVRDFAQLL
Peptide_Length 15
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(C)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 1889.23
Aliphatic_Index 123.33333
Aromaticity 0.20000
Average_Rotatable_Bonds 4.06667
Charge_at_pH_7 1.08933
Isoelectric_Point 10.39953
Number_of_Hydrogen_Bond_Acceptors 22
Number_of_Hydrogen_Bond_Donors 26
Topological_Polar_Surface_Area 746.68000
X_logP_energy -3.11816
Interaction Information
Affinity KD=124 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