› 6hmq

X-ray diffraction
0.97Å resolution

STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE BENZOTRIAZOLE-TYPE INHIBITOR MB002

Released:
DOI: 10.2210/pdb6hmq/pdb
PDB entry 6hmq coloured by chain, front view.
PDB entry 6hmq coloured by chain, side view.
PDB entry 6hmq coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Diacritic Binding of an Indenoindole Inhibitor by CK2α Paralogs Explored by a Reliable Path to Atomic Resolution CK2α' Structures.
Lindenblatt D, Nickelsen A, Applegate VM, Hochscherf J, Witulski B, Bouaziz Z, Marminon C, Bretner M, Le Borgne M, Jose J, Niefind K
OpenAccess logo ACS Omega 4 5471-5478 (2019)
PMID: 31559376

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-148708 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Casein kinase II subunit alpha' Chain: A
Molecule details ›
Chain: A
Length: 364 amino acids
Theoretical weight: 42.88 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P19784 (Residues: 1-346; Coverage: 99%)
Gene names: CK2A2, CSNK2A2
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

5 bound ligands:
Ligand TRS 1 x TRS
Ligand EDO 10 x EDO
Ligand CL 2 x CL
Ligand NA 1 x NA
Ligand 4B0 1 x 4B0
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID30B
Spacegroup: P1
Unit cell:
a: 46.14Å b: 47.22Å c: 50.29Å
α: 113.47° β: 90.76° γ: 90.27°
R-values:
R R work R free
0.12 0.12 0.132
Expression system: Escherichia coli

Quick links

Citations

5 citation in other articles

Silmitasertib (CX-4945), a Clinically Used CK2-Kinase Inhibitor with Additional Effects on GSK3β and DYRK1A Kinases: A Structural Perspective.
Grygier et al. (2023)
4 more

2 mentions without citation

Competition between electrostatic interactions and halogen bonding in the protein-ligand system: structural and thermodynamic studies of 5,6-dibromobenzotriazole-hCK2α complexes.
Winiewska-Szajewska et al. (2022)
1 more