› 4xoy

X-ray diffraction
2.1Å resolution

Crystal structure of ERK2 in complex with an inhibitor

Released:
DOI: 10.2210/pdb4xoy/pdb
PDB entry 4xoy coloured by chain, front view.
PDB entry 4xoy coloured by chain, side view.
PDB entry 4xoy coloured by chain, top view.
Source organism: Rattus norvegicus
Primary publication:
Combining 'dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Gelin M, Delfosse V, Allemand F, Hoh F, Sallaz-Damaz Y, Pirocchi M, Bourguet W, Ferrer JL, Labesse G, Guichou JF
Acta Crystallogr D Biol Crystallogr 71 1777-87 (2015)
PMID: 26249358

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: 351 amino acids
Theoretical weight: 41.08 KDa
Source organism: Rattus norvegicus
Expression system: Escherichia coli
UniProt:
  • Canonical: P63086 (Residues: 8-358; Coverage: 98%)
Gene names: Erk2, Mapk, Mapk1, Prkm1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand DX4 1 x DX4
Ligand SO4 1 x SO4
1 modified residue:
Ligand CME 4 x CME

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE BM30A
Spacegroup: P21
Unit cell:
a: 49.178Å b: 71.417Å c: 61.263Å
α: 90° β: 109.51° γ: 90°
R-values:
R R work R free
0.182 0.179 0.218
Expression system: Escherichia coli

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Citations

3 review citations

Peptidyl-Proline Isomerases (PPIases): Targets for Natural Products and Natural Product-Inspired Compounds.
Dunyak et al. (2016)
2 more

1 mention without citation

New Inhibitors of Laccase and Tyrosinase by Examination of Cross-Inhibition between Copper-Containing Enzymes.
Chaudhary et al. (2021)