› 4gue

X-ray diffraction
1.8Å resolution

Structure of N-terminal kinase domain of RSK2 with flavonoid glycoside quercitrin

Released:
DOI: 10.2210/pdb4gue/pdb
PDB entry 4gue coloured by chain, front view.
PDB entry 4gue coloured by chain, side view.
PDB entry 4gue coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
Identification of quercitrin as an inhibitor of the p90 S6 ribosomal kinase (RSK): structure of its complex with the N-terminal domain of RSK2 at 1.8 Å resolution.
Derewenda U, Artamonov M, Szukalska G, Utepbergenov D, Olekhnovich N, Parikh HI, Kellogg GE, Somlyo AV, Derewenda ZS
Acta Crystallogr D Biol Crystallogr 69 266-75 (2013)
PMID: 23385462

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-148420 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Ribosomal protein S6 kinase alpha-3 Chain: A
Molecule details ›
Chain: A
Length: 305 amino acids
Theoretical weight: 35.07 KDa
Source organism: Mus musculus
Expression system: Escherichia coli
UniProt:
  • Canonical: P18654 (Residues: 45-346; Coverage: 41%)
Gene names: Mapkapk1b, Rps6ka-rs1, Rps6ka3, Rsk2
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand QCT 1 x QCT
Ligand MG 1 x MG
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-BM
Spacegroup: C2
Unit cell:
a: 98.084Å b: 40.686Å c: 83.264Å
α: 90° β: 114.31° γ: 90°
R-values:
R R work R free
0.173 0.171 0.205
Expression system: Escherichia coli

Quick links

Citations

6 review citations

Selective Targeting of RSK Isoforms in Cancer.
Casalvieri et al. (2017)
5 more

6 mentions without citation

The unusual mechanism of inhibition of the p90 ribosomal S6 kinase (RSK) by flavonol rhamnosides.
Utepbergenov et al. (2013)
5 more