› 5bue

X-ray diffraction
2.4Å resolution

ERK2 complexed with N-benzylpyridone tetrahydroazaindazole

Released:
DOI: 10.2210/pdb5bue/pdb
PDB entry 5bue coloured by chain, front view.
PDB entry 5bue coloured by chain, side view.
PDB entry 5bue 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

2 bound ligands:
Ligand 4V8 1 x 4V8
Ligand NI 1 x NI
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.1
Spacegroup: P212121
Unit cell:
a: 43.75Å b: 71.36Å c: 119.85Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.185 0.182 0.23
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

1 mention without citation

Functional divergence caused by mutations in an energetic hotspot in ERK2.
Taylor et al. (2019)