› 5hd7

X-ray diffraction
1.69Å resolution

Dissecting Therapeutic Resistance to ERK Inhibition Rat Mutant SCH772984 in complex with (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide

Released:
DOI: 10.2210/pdb5hd7/pdb
PDB entry 5hd7 coloured by chain, front view.
PDB entry 5hd7 coloured by chain, side view.
PDB entry 5hd7 coloured by chain, top view.
Source organism: Rattus norvegicus
Primary publication:
Dissecting Therapeutic Resistance to ERK Inhibition.
Jha S, Morris EJ, Hruza A, Mansueto MS, Schroeder GK, Arbanas J, McMasters D, Restaino CR, Dayananth P, Black S, Elsen NL, Mannarino A, Cooper A, Fawell S, Zawel L, Jayaraman L, Samatar AA
Mol Cancer Ther 15 548-59 (2016)
PMID: 26832798

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: 365 amino acids
Theoretical weight: 42.29 KDa
Source organism: Rattus norvegicus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P63086 (Residues: 1-358; Coverage: 100%)
Gene names: Erk2, Mapk, Mapk1, Prkm1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand 38Z 1 x 38Z
Ligand SO4 5 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E+ SUPERBRIGHT
Spacegroup: P21212
Unit cell:
a: 70.986Å b: 91.422Å c: 62.972Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.182 0.181 0.207
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

12 review citations

Targeting ERK, an Achilles' Heel of the MAPK pathway, in cancer therapy.
Liu et al. (2018)
11 more