› 9epw

X-ray diffraction
2.3Å resolution

Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3336

Released:
DOI: 10.2210/pdb9epw/pdb
Model geometry
Fit model/data
PDB entry 9epw coloured by chain, front view.
PDB entry 9epw coloured by chain, side view.
PDB entry 9epw coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Synthesis and evaluation of chemical linchpins for highly selective CK2α targeting.
Greco FA, Krämer A, Wahl L, Elson L, Ehret TAL, Gerninghaus J, Möckel J, Müller S, Hanke T, Knapp S
Eur J Med Chem 276 116672 (2024)
PMID: 39067440

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-159383 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Casein kinase II subunit alpha Chain: B
Molecule details ›
Chain: B
Length: 338 amino acids
Theoretical weight: 40.33 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P68400 (Residues: 1-337; Coverage: 86%)
Gene names: CK2A1, CSNK2A1
Sequence domains: Protein kinase domain

Ligands and Environments

2 bound ligands:
Ligand SO4 5 x SO4
Ligand A1H6F 1 x A1H6F
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P43212
Unit cell:
a: 72.063Å b: 72.063Å c: 133.283Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.261 0.259 0.308
Expression system: Escherichia coli

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