› 3fv8

X-ray diffraction
2.28Å resolution

JNK3 bound to piperazine amide inhibitor, SR2774.

Released:
DOI: 10.2210/pdb3fv8/pdb
PDB entry 3fv8 coloured by chain, front view.
PDB entry 3fv8 coloured by chain, side view.
PDB entry 3fv8 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Synthesis and SAR of piperazine amides as novel c-jun N-terminal kinase (JNK) inhibitors.
Shin Y, Chen W, Habel J, Duckett D, Ling YY, Koenig M, He Y, Vojkovsky T, LoGrasso P, Kamenecka TM
Bioorg Med Chem Lett 19 3344-7 (2009)
PMID: 19433357

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-156874 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Mitogen-activated protein kinase 10 Chain: A
Molecule details ›
Chain: A
Length: 355 amino acids
Theoretical weight: 41.01 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P53779 (Residues: 39-402; Coverage: 77%)
Gene names: JNK3, JNK3A, MAPK10, PRKM10, SAPK1B
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand JK3 1 x JK3
Ligand EDO 5 x EDO
1 modified residue:
Ligand OCY 3 x OCY

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: C2221
Unit cell:
a: 81.565Å b: 125.315Å c: 69.253Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.204 0.195 0.284
Expression system: Escherichia coli

Quick links

Citations

9 citation in other articles

Small Molecule c-jun-N-terminal Kinase (JNK) Inhibitors Protect Dopaminergic Neurons in a Model of Parkinson's Disease.
Chambers et al. (2011)
8 more

6 mentions without citation

C-Jun N-terminal kinase inhibitors: Structural insight into kinase-inhibitor complexes.
Duong et al. (2020)
5 more