PPIRE15134

Target Protein Information
Protein_Name Casein kinase II subunit alpha
Protein_Sequence MSGPVPSRARVYTDVNTHRPREYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVKKKKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVKDQARMGSSSMPGGSTPVSSANMMSGISSVPTPSPLGPLAGSPVIAAANPLGMPVPAAAGAQQ
Organism_Source Homo sapiens
Functional_Classification serine threonine protein kinases
Cellular_Localization Cytoplasm
Gene_Names CSNK2A1
UniProt_ID P68400
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Pc
Peptide_Sequence CRLYGFKIHC
Peptide_Length 10
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CS)C(=O)O
Chemical_Modification None
Cyclization_Method Side chain-side chain cyclization; C1<-->C10; disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1239.52
Aliphatic_Index 78.00000
Aromaticity 0.20000
Average_Rotatable_Bonds 3.90000
Charge_at_pH_7 1.96380
Isoelectric_Point 8.80102
Number_of_Hydrogen_Bond_Acceptors 17
Number_of_Hydrogen_Bond_Donors 19
Topological_Polar_Surface_Area 462.05000
X_logP_energy -2.10623
Interaction Information
Affinity IC50=3 uM
Affinity_Assay Competition binding assay
PDB_ID 1JWH
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Structure-based design of small peptide inhibitors of protein kinase CK2 subunit interaction
Release_Year 2007
PMID 17714077
DOI 10.1042/BJ20070825