PPIRE11324
Target Protein Information
| Protein_Name | Casein kinase II subunit alpha |
|---|---|
| Protein_Sequence | MSGPVPSRARVYTDVNTHRPREYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVKKKKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVKDQARMGSSSMPGGSTPVSSANMMSGISSVPTPSPLGPLAGSPVIAAANPLGMPVPAAAGAQQ |
| Organism_Source | Homo sapiens |
| Functional_Classification | kinases |
| Cellular_Localization | Nucleus |
| Gene_Names | CSNK2A1 |
| UniProt_ID | P68400 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | P2-C4 |
|---|---|
| Peptide_Sequence | GXRLYGFKWHXGG |
| Peptide_Length | 13 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)NCC(=O)NCC(=O)O |
| Chemical_Modification | X2=azido-alanine; X11=azido-alanine |
| Cyclization_Method | Side chain-side chain cyclization; X2<->X11; other bonds |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Acetyl |
| C-terminal_Modification | amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1391.55 |
|---|---|
| Aliphatic_Index | 30.00000 |
| Aromaticity | 0.23077 |
| Average_Rotatable_Bonds | 3.30769 |
| Charge_at_pH_7 | 2.08774 |
| Isoelectric_Point | 10.45503 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 18 |
| Number_of_Hydrogen_Bond_Donors | 21 |
| Topological_Polar_Surface_Area | 565.14000 |
| X_logP_energy | -4.67653 |
Interaction Information
| Affinity | IC50=150 nM |
|---|---|
| Affinity_Assay | Bio-Layer Interferometry |
| PDB_ID | 6Q4Q |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Efficient development of stable and highly functionalised peptides targeting the CK2Alpha/CK2Beta protein-protein interaction. |
| Release_Year | 2019 |
| PMID | 31183056 |
| DOI | 10.1039/C9SC00798A |