› 4qtb

X-ray diffraction
1.4Å resolution

Structure of human ERK1 in complex with SCH772984 revealing a novel inhibitor-induced binding pocket

Released:
DOI: 10.2210/pdb4qtb/pdb
PDB entry 4qtb coloured by chain, front view.
PDB entry 4qtb coloured by chain, side view.
PDB entry 4qtb 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-150985 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Mitogen-activated protein kinase 3 Chains: A, B
Molecule details ›
Chains: A, B
Length: 380 amino acids
Theoretical weight: 43.28 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P27361 (Residues: 1-379; Coverage: 100%)
Gene names: ERK1, MAPK3, PRKM3
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

5 bound ligands:
Ligand EDO 20 x EDO
Ligand DMS 3 x DMS
Ligand CL 3 x CL
Ligand SO4 2 x SO4
Ligand 38Z 2 x 38Z
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P21
Unit cell:
a: 61.98Å b: 94.01Å c: 65.36Å
α: 90° β: 91.71° γ: 90°
R-values:
R R work R free
0.148 0.147 0.175
Expression system: Escherichia coli BL21

Quick links

Citations

19 review citations

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

64 mentions without citation

ERK1 and ERK2 Map Kinases: Specific Roles or Functional Redundancy?
Buscà et al. (2016)
63 more