PPIRE17294

Target Protein Information
Protein_Name Casein kinase II subunit alpha
Protein_Sequence MSGPVPSRARVYTDVNTHRPREYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVKKKKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVKDQARMGSSSMPGGSTPVSSANMMSGISSVPTPSPLGPLAGSPVIAAANPLGMPVPAAAGAQQ
Organism_Source Homo sapiens
Functional_Classification protein kinases
Cellular_Localization Nucleus
Gene_Names CSNK2A1
UniProt_ID P68400
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name RRRDDDSDDD
Peptide_Sequence RRRDDDSDDD
Peptide_Length 10
Peptide_SMILES N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1264.19
Aliphatic_Index 0.00000
Aromaticity 0.00000
Average_Rotatable_Bonds 4.40000
Charge_at_pH_7 -2.99935
Isoelectric_Point 3.98479
Number_of_Hydrogen_Bond_Acceptors 21
Number_of_Hydrogen_Bond_Donors 27
Topological_Polar_Surface_Area 754.95000
X_logP_energy -11.60819
Interaction Information
Affinity KD=2.1 mM
Affinity_Assay Microscale Thermophoresis
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Rational drug-design approach supported with thermodynamic studies a peptide leader for the efficient bi-substrate inhibitor of protein kinase CK2
Release_Year 2019
PMID 31358826
DOI 10.1038/s41598-019-47404-0