PPIRE18332
Target Protein Information
| Protein_Name | HLA class II histocompatibility antigen DRB1 beta chain |
|---|---|
| Protein_Sequence | MVCLKLPGGSCMTALTVTLMVLSSPLALSGDTRPRFLWQPKRECHFFNGTERVRFLDRYFYNQEESVRFDSDVGEFRAVTELGRPDAEYWNSQKDILEQARAAVDTYCRHNYGVVESFTVQRRVQPKVTVYPSKTQPLQHHNLLVCSVSGFYPGSIEVRWFLNGQEEKAGMVSTGLIQNGDWTFQTLVMLETVPRSGEVYTCQVEHPSVTSPLTVEWRARSESAQSKMLSGVGGFVLGLLFLGAGLFIYFRNQKGHSGLQPTGFLS |
| Organism_Source | Homo sapiens |
| Functional_Classification | major histocompatibility complex class 2 |
| Cellular_Localization | Plasma membrane |
| Gene_Names | HLA-DRB1 |
| UniProt_ID | P01911 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | MBP(114-126) |
|---|---|
| Peptide_Sequence | FSWGAEGQRPGFG |
| Peptide_Length | 13 |
| Peptide_SMILES | C[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O |
| 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 | 1395.50 |
|---|---|
| Aliphatic_Index | 7.69231 |
| Aromaticity | 0.23077 |
| Average_Rotatable_Bonds | 3.15385 |
| Charge_at_pH_7 | -0.00024 |
| Isoelectric_Point | 6.41015 |
|---|---|
| Hydrogen_Bond_Acceptors | 18 |
| Hydrogen_Bond_Donors | 20 |
| Topological_Polar_Surface_Area | 582.04000 |
| X_logP_energy | -6.13713 |
Interaction Information
| Affinity | KD=5 uM |
|---|---|
| Affinity_Assay | binding assay |
| PDB_ID | 3O6F |
| Type | Agonist |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Peptide-鍌欒兌閸嬨劑宕曢懠韬蹭汗闁革附 Binding Reveals Conserved Allosteric Sites in MHC Class I- and Class II-Restricted T Cell Receptors (TCRs) |
| Release_Year | 2020 |
| PMID | 33157083 |
| DOI | 10.1016/j.jmb.2020.10.031 |