PPIRE12403

Target Protein Information
Protein_Name HLA class II histocompatibility antigen, DQ alpha 1 chain/HLA class II histocompatibility antigen, DQ beta 1 chain
Protein_Sequence MILNKALMLGALALTTVMSPCGGEDIVADHVASYGVNLYQSYGPSGQYTHEFDGDEQFYVDLGRKETVWCLPVLRQFRFDPQFALTNIAVLKHNLNSLIKRSNSTAATNEVPEVTVFSKSPVTLGQPNILICLVDNIFPPVVNITWLSNGHSVTEGVSETSFLSKSDHSFFKISYLTLLPSAEESYDCKVEHWGLDKPLLKHWEPEIPAPMSELTETVVCALGLSVGLVGIVVGTVFIIRGLRSVGASRHQGPL/MSWKKALRIPGGLRAATVTLMLAMLSTPVAEGRDSPEDFVYQFKAMCYFTNGTERVRYVTRYIYNREEYARFDSDVEVYRAVTPLGPPDAEYWNSQKEVLERTRAELDTVCRHNYQLELRTTLQRRVEPTVTISPSRTEALNHHNLLVCSVTDFYPAQIKVRWFRNDQEETTGVVSTPLIRNGDWTFQILVMLEMTPQHGDVYTCHVEHPSLQNPITVEWRAQSESAQSKMLSGIGGFVLGLIFLGLGLIIHHRSQKGLLH
Organism_Source Homo sapiens
Functional_Classification MHC class II
Cellular_Localization Plasma membrane
Gene_Names HLA-DQA1/HLA-DQB1
UniProt_ID P01909/P01920
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name PFPQPELPY
Peptide_Sequence PFPQPELPY
Peptide_Length 9
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)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 1087.24
Aliphatic_Index 43.33333
Aromaticity 0.22222
Average_Rotatable_Bonds 2.88889
Charge_at_pH_7 -1.00109
Isoelectric_Point 3.84998
Number_of_Hydrogen_Bond_Acceptors 13
Number_of_Hydrogen_Bond_Donors 10
Topological_Polar_Surface_Area 356.38000
X_logP_energy -0.41260
Interaction Information
Affinity IC50=4 uM
Affinity_Assay in vitro binding assay
PDB_ID None
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Structural basis for HLA-DQ2-mediated presentation of gluten epitopes in celiac disease.
Release_Year 2004
PMID 15020763
DOI 10.1073/pnas.0306885101