› 3qyz

X-ray diffraction
1.46Å resolution

Crystal structure of ERK2 in complex with an inhibitor

Released:
DOI: 10.2210/pdb3qyz/pdb
PDB entry 3qyz coloured by chain, front view.
PDB entry 3qyz coloured by chain, side view.
PDB entry 3qyz coloured by chain, top view.
Source organism: Rattus norvegicus
Primary publication:
In-plate protein crystallization, in situ ligand soaking and X-ray diffraction.
le Maire A, Gelin M, Pochet S, Hoh F, Pirocchi M, Guichou JF, Ferrer JL, Labesse G
Acta Crystallogr D Biol Crystallogr 67 747-55 (2011)
PMID: 21904027

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-158941 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Mitogen-activated protein kinase 1 Chain: A
Molecule details ›
Chain: A
Length: 364 amino acids
Theoretical weight: 42.24 KDa
Source organism: Rattus norvegicus
Expression system: Escherichia coli
UniProt:
  • Canonical: P63086 (Residues: 1-358; Coverage: 100%)
Gene names: Erk2, Mapk, Mapk1, Prkm1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand Z8B 1 x Z8B
Ligand DMS 11 x DMS
Ligand SO4 2 x SO4
Ligand BME 1 x BME
1 modified residue:
Ligand CME 1 x CME

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-2
Spacegroup: P21
Unit cell:
a: 48.689Å b: 70.237Å c: 59.482Å
α: 90° β: 108.53° γ: 90°
R-values:
R R work R free
0.175 0.161 0.195
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Changes in Membrane Protein Structural Biology.
Birch et al. (2020)
2 more

1 mention without citation

Survey of phosphorylation near drug binding sites in the Protein Data Bank (PDB) and their effects.
Smith et al. (2015)