› 3i60

X-ray diffraction
2.5Å resolution

Crystal structure of ERK2 bound to (S)-4-(2-(2-chlorophenylamino)-5-methylpyrimidin-4-yl)-N-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide

Released:
DOI: 10.2210/pdb3i60/pdb
PDB entry 3i60 coloured by chain, front view.
PDB entry 3i60 coloured by chain, side view.
PDB entry 3i60 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control.
Aronov AM, Tang Q, Martinez-Botella G, Bemis GW, Cao J, Chen G, Ewing NP, Ford PJ, Germann UA, Green J, Hale MR, Jacobs M, Janetka JW, Maltais F, Markland W, Namchuk MN, Nanthakumar S, Poondru S, Straub J, ter Haar E, Xie X
J Med Chem 52 6362-8 (2009)
PMID: 19827834

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: 380 amino acids
Theoretical weight: 43.62 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P28482 (Residues: 1-360; Coverage: 100%)
Gene names: ERK2, MAPK1, PRKM1, PRKM2
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand SO4 3 x SO4
Ligand E86 1 x E86
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P212121
Unit cell:
a: 44.061Å b: 70.251Å c: 119.598Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.211 0.207 0.248
Expression system: Escherichia coli

Quick links

Citations

17 review citations

ERK1/2 MAP kinases: structure, function, and regulation.
Roskoski R. (2012)
16 more

5 mentions without citation

ERK mutations confer resistance to mitogen-activated protein kinase pathway inhibitors.
Goetz et al. (2014)
4 more