› 5bvd

X-ray diffraction
1.9Å resolution

Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase

Released:
DOI: 10.2210/pdb5bvd/pdb
PDB entry 5bvd coloured by chain, front view.
PDB entry 5bvd coloured by chain, side view.
PDB entry 5bvd coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase.
Bagdanoff JT, Jain R, Han W, Zhu S, Madiera AM, Lee PS, Ma X, Poon D
Bioorg Med Chem Lett 25 3788-92 (2015)
PMID: 26259804

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
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 4VF 1 x 4VF
Ligand SO4 5 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.2
Spacegroup: P212121
Unit cell:
a: 44.271Å b: 71.282Å c: 120.451Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.172 0.17 0.207
Expression system: Escherichia coli

Quick links

Citations

2 review citations

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