› 5v61

X-ray diffraction
2.2Å resolution

Phospho-ERK2 bound to bivalent inhibitor SBP2

Released:
DOI: 10.2210/pdb5v61/pdb
PDB entry 5v61 coloured by chain, front view.
PDB entry 5v61 coloured by chain, side view.
PDB entry 5v61 coloured by chain, top view.
Source organisms:
Primary publication:
Structure-Guided Strategy for the Development of Potent Bivalent ERK Inhibitors.
Lechtenberg BC, Mace PD, Sessions EH, Williamson R, Stalder R, Wallez Y, Roth GP, Riedl SJ, Pasquale EB
ACS Med Chem Lett 8 726-731 (2017)
PMID: 28740606

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:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-138045 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Mitogen-activated protein kinase 1 Chain: A
Molecule details ›
Chain: A
Length: 356 amino acids
Theoretical weight: 41.26 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P28482 (Residues: 8-360; Coverage: 98%)
Gene names: ERK2, MAPK1, PRKM1, PRKM2
Sequence domains: Protein kinase domain
Structure domains:
Protein Tat; Ribosomal protein S6 kinase alpha-1 Chain: I
Molecule details ›
Chain: I
Length: 28 amino acids
Theoretical weight: 3.53 KDa
Source organisms: Expression system: Not provided
UniProt:
  • Canonical: Q15418 (Residues: 713-729; Coverage: 2%)
  • Canonical: P04608 (Residues: 49-57; Coverage: 11%)
Gene names: MAPKAPK1A, RPS6KA1, RSK1, tat

Ligands and Environments

3 bound ligands:
Ligand GOL 3 x GOL
Ligand FRZ 1 x FRZ
Ligand 90A 1 x 90A
2 modified residues:
Ligand TPO 1 x TPO
Ligand PTR 1 x PTR

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: P212121
Unit cell:
a: 42.217Å b: 78.328Å c: 152.187Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.178 0.176 0.212
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

1 review citation

Targeting ERK beyond the boundaries of the kinase active site in melanoma.
Sammons et al. (2019)
5 other articles

1 mention without citation

Structure-Guided Strategy for the Development of Potent Bivalent ERK Inhibitors.
Lechtenberg et al. (2017)