PPIRE01105
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 | CILP-988 |
|---|---|
| Peptide_Sequence | KLYGIXDVXSTXD |
| Peptide_Length | 13 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCCN)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O)C(C)C |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1281.38 |
|---|---|
| Aliphatic_Index | 82.30769 |
| Aromaticity | 0.07692 |
| Average_Rotatable_Bonds | 3.23077 |
| Charge_at_pH_7 | -1.00227 |
| Isoelectric_Point | 4.10925 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 20 |
| Number_of_Hydrogen_Bond_Donors | 20 |
| Topological_Polar_Surface_Area | 573.83000 |
| X_logP_energy | -7.11050 |
Interaction Information
| Affinity | IC50=1.84 uM |
|---|---|
| Affinity_Assay | Fluorescence Polarization |
| PDB_ID | None |
| Type | Affinity ligand |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | The interplay between citrullination and HLA-DRB1 polymorphism in shaping peptide binding hierarchies in rheumatoid arthritis. |
| Release_Year | 2018 |
| PMID | 29317506 |
| DOI | 10.1074/jbc.RA117.001013 |