PPIRE12466
Target Protein Information
| Protein_Name | Interleukin-1 receptor type 1 |
|---|---|
| Protein_Sequence | MKVLLRLICFIALLISSLEADKCKEREEKIILVSSANEIDVRPCPLNPNEHKGTITWYKDDSKTPVSTEQASRIHQHKEKLWFVPAKVEDSGHYYCVVRNSSYCLRIKISAKFVENEPNLCYNAQAIFKQKLPVAGDGGLVCPYMEFFKNENNELPKLQWYKDCKPLLLDNIHFSGVKDRLIVMNVAEKHRGNYTCHASYTYLGKQYPITRVIEFITLEENKPTRPVIVSPANETMEVDLGSQIQLICNVTGQLSDIAYWKWNGSVIDEDDPVLGEDYYSVENPANKRRSTLITVLNISEIESRFYKHPFTCFAKNTHGIDAAYIQLIYPVTNFQKHMIGICVTLTVIIVCSVFIYKIFKIDIVLWYRDSCYDFLPIKASDGKTYDAYILYPKTVGEGSTSDCDIFVFKVLPEVLEKQCGYKLFIYGRDDYVGEDIVEVINENVKKSRRLIIILVRETSGFSWLGGSSEEQIAMYNALVQDGIKVVLLELEKIQDYEKMPESIKFIKQKHGAIRWSGDFTQGPQSAKTRFWKNVRYHMPVQRRSPSSKHQLLSPATKEKLQREAHVPLG |
| Organism_Source | Homo sapiens |
| Functional_Classification | cytokine receptors |
| Cellular_Localization | Plasma membrane |
| Gene_Names | IL1R1 |
| UniProt_ID | P14778 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | AF11440 |
|---|---|
| Peptide_Sequence | WRQSGERYWQPYALPL |
| Peptide_Length | 16 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=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 | 2050.31 |
|---|---|
| Aliphatic_Index | 55.00000 |
| Aromaticity | 0.25000 |
| Average_Rotatable_Bonds | 3.68750 |
| Charge_at_pH_7 | 0.99805 |
| Isoelectric_Point | 9.17107 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 25 |
| Number_of_Hydrogen_Bond_Donors | 29 |
| Topological_Polar_Surface_Area | 821.79000 |
| X_logP_energy | -4.31456 |
Interaction Information
| Affinity | IC50=85 nM |
|---|---|
| Affinity_Assay | radioligand competition binding assay |
| PDB_ID | None |
| Type | antagonist |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | High affinity type I interleukin 1 receptor antagonists discovered by screening recombinant peptide libraries. |
| Release_Year | 1996 |
| PMID | 8693002 |
| DOI | 10.1073/pnas.93.14.7381 |