› 7zwg

X-ray diffraction
1.31Å resolution

The Crystal structure of RO4493940 bound to CK2alpha

Released:
DOI: 10.2210/pdb7zwg/pdb
PDB entry 7zwg coloured by chain, front view.
PDB entry 7zwg coloured by chain, side view.
PDB entry 7zwg coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors.
Reinecke M, Brear P, Vornholz L, Berger BT, Seefried F, Wilhelm S, Samaras P, Gyenis L, Litchfield DW, Médard G, Müller S, Ruland J, Hyvönen M, Wilhelm M, Kuster B
OpenAccess logo Nat Chem Biol (2023)
PMID: 37904048

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: A
Molecule details ›
Chain: A
Length: 328 amino acids
Theoretical weight: 39.03 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P68400 (Residues: 2-329; Coverage: 84%)
  • Best match: P68400-2 (Residues: 1-193)
Gene names: CK2A1, CSNK2A1
Sequence domains: Protein kinase domain

Ligands and Environments

4 bound ligands:
Ligand R7W 1 x R7W
Ligand EPE 1 x EPE
Ligand ACT 1 x ACT
Ligand NA 1 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P21
Unit cell:
a: 58.514Å b: 45.289Å c: 62.979Å
α: 90° β: 111.54° γ: 90°
R-values:
R R work R free
0.189 0.188 0.203
Expression system: Escherichia coli

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