› 4qta

X-ray diffraction
1.45Å resolution

Structure of human ERK2 in complex with SCH772984 revealing a novel inhibitor-induced binding pocket

Released:
DOI: 10.2210/pdb4qta/pdb
PDB entry 4qta coloured by chain, front view.
PDB entry 4qta coloured by chain, side view.
PDB entry 4qta coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
A unique inhibitor binding site in ERK1/2 is associated with slow binding kinetics.
Chaikuad A, Tacconi EM, Zimmer J, Liang Y, Gray NS, Tarsounas M, Knapp S
Nat Chem Biol 10 853-60 (2014)
PMID: 25195011

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: 41.53 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P28482 (Residues: 1-360; Coverage: 100%)
Gene names: ERK2, MAPK1, PRKM1, PRKM2
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand EDO 8 x EDO
Ligand SO4 2 x SO4
Ligand 38Z 1 x 38Z
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P212121
Unit cell:
a: 42.82Å b: 75.54Å c: 103.59Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.16 0.158 0.191
Expression system: Escherichia coli BL21

Quick links

Citations

20 review citations

Targeting RAS-ERK signalling in cancer: promises and challenges.
Samatar et al. (2014)
19 more

19 mentions without citation

A unique inhibitor binding site in ERK1/2 is associated with slow binding kinetics.
Chaikuad et al. (2014)
18 more