› 5buj

X-ray diffraction
1.85Å resolution

ERK2 complexed with a N-H tetrahydroazaindazole

Released:
DOI: 10.2210/pdb5buj/pdb
PDB entry 5buj coloured by chain, front view.
PDB entry 5buj coloured by chain, side view.
PDB entry 5buj coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.
Bagdanoff JT, Jain R, Han W, Poon D, Lee PS, Bellamacina C, Lindvall M
Bioorg Med Chem Lett 25 3626-9 (2015)
PMID: 26144345

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-151230 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Mitogen-activated protein kinase 1 Chain: A
Molecule details ›
Chain: A
Length: 361 amino acids
Theoretical weight: 41.47 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P28482 (Residues: 2-360; Coverage: 100%)
Gene names: ERK2, MAPK1, PRKM1, PRKM2
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 4VB 1 x 4VB
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.2
Spacegroup: P212121
Unit cell:
a: 43.81Å b: 71.266Å c: 120.069Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.173 0.171 0.206
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

Extracellular-Signal Regulated Kinase: A Central Molecule Driving Epithelial-Mesenchymal Transition in Cancer.
Olea-Flores et al. (2019)
5 other articles

3 mentions without citation

Potential Stereoselective Binding of Trans-(±)-Kusunokinin and Cis-(±)-Kusunokinin Isomers to CSF1R.
Chompunud Na Ayudhya et al. (2022)
2 more