› 3qyw

X-ray diffraction
1.5Å resolution

Crystal structure of ERK2 in complex with an inhibitor

Released:
DOI: 10.2210/pdb3qyw/pdb
PDB entry 3qyw coloured by chain, front view.
PDB entry 3qyw coloured by chain, side view.
PDB entry 3qyw 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

3 bound ligands:
Ligand 6PB 1 x 6PB
Ligand DMS 10 x DMS
Ligand SO4 1 x SO4
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: 49.067Å b: 70.254Å c: 60.168Å
α: 90° β: 108.72° γ: 90°
R-values:
R R work R free
0.16 0.148 0.188
Expression system: Escherichia coli

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Citations

4 review citations

Protein X-ray Crystallography and Drug Discovery.
Maveyraud et al. (2020)
3 more

1 mention without citation

Identification of afzelin potential targets in inhibiting triple-negative breast cancer cell migration using reverse docking.
Rachmi et al. (2020)