PPIRE18802
Target Protein Information
| Protein_Name | ATP-sensitive inward rectifier potassium channel 1 |
|---|---|
| Protein_Sequence | MGASERSVFRVLIRALTERMFKHLRRWFITHIFGRSRQRARLVSKEGRCNIEFGNVDAQSRFIFFVDIWTTVLDLKWRYKMTVFITAFLGSWFLFGLLWYVVAYVHKDLPEFYPPDNRTPCVENINGMTSAFLFSLETQVTIGYGFRFVTEQCATAIFLLIFQSILGVIINSFMCGAILAKISRPKKRAKTITFSKNAVISKRGGKLCLLIRVANLRKSLLIGSHIYGKLLKTTITPEGETIILDQTNINFVVDAGNENLFFISPLTIYHIIDHNSPFFHMAAETLSQQDFELVVFLDGTVESTSATCQVRTSYVPEEVLWGYRFVPIVSKTKEGKYRVDFHNFGKTVEVETPHCAMCLYNEKDARARMKRGYDNPNFVLSEVDETDDTQM |
| Organism_Source | Rattus norvegicus |
| Functional_Classification | inwardly rectifying K+ channels |
| Cellular_Localization | Plasma membrane |
| Gene_Names | Kcnj1 |
| UniProt_ID | P35560 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Tertiapin (TPN) |
|---|---|
| Peptide_Sequence | ALCNCNRIIIPHMCWKKCGKK |
| Peptide_Length | 21 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)CC)[C@@H](C)CC |
| Chemical_Modification | C3-鍌欒兌閸嬨劑宕曢幓14=disulfide bond; C5-鍌欒兌閸嬨劑宕曢幓18=disulfide bond |
| Cyclization_Method | Side chain cyclization; C3<-->C14; disulfide bond; C5<-->C18; disulfide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 2460.09 |
|---|---|
| Aliphatic_Index | 79.04762 |
| Aromaticity | 0.04762 |
| Average_Rotatable_Bonds | 3.95238 |
| Charge_at_pH_7 | 4.83981 |
| Isoelectric_Point | 9.71204 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 35 |
| Number_of_Hydrogen_Bond_Donors | 36 |
| Topological_Polar_Surface_Area | 933.16000 |
| X_logP_energy | -6.87163 |
Interaction Information
| Affinity | IC50=100 nM |
|---|---|
| Affinity_Assay | Patch-clamp electrophysiology |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | A computational design approach for virtual screening of peptide interactions across K+ channel families |
| Release_Year | 2015 |
| PMID | 25709757 |
| DOI | 10.1016/j.csbj.2014.11.004 |