› 6emh

X-ray diffraction
1.76Å resolution

Crystal structure of JNK3 in complex with a pyridinylimidazole inhibitor

Released:
DOI: 10.2210/pdb6emh/pdb
PDB entry 6emh coloured by chain, front view.
PDB entry 6emh coloured by chain, side view.
PDB entry 6emh coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural Optimization of a Pyridinylimidazole Scaffold: Shifting the Selectivity from p38α Mitogen-Activated Protein Kinase to c-Jun N-Terminal Kinase 3.
Ansideri F, Macedo JT, Eitel M, El-Gokha A, Zinad DS, Scarpellini C, Kudolo M, Schollmeyer D, Boeckler FM, Blaum BS, Laufer SA, Koch P
ACS Omega 3 7809-7831 (2018)
PMID: 30087925

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 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 367 amino acids
Theoretical weight: 42.26 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P53779 (Residues: 39-402; Coverage: 78%)
Gene names: JNK3, JNK3A, MAPK10, PRKM10, SAPK1B
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

7 bound ligands:
Ligand BME 3 x BME
Ligand CL 3 x CL
Ligand BGE 4 x BGE
Ligand EDO 5 x EDO
Ligand C15 2 x C15
Ligand PEG 2 x PEG
Ligand GOL 3 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: P212121
Unit cell:
a: 88.56Å b: 114.26Å c: 157.8Å
α: 90° β: 90° γ: 90°
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Clinically Precedented Protein Kinases: Rationale for Their Use in Neurodegenerative Disease.
Benn et al. (2020)
1 more

4 mentions without citation

A Perspective on the Development of c-Jun N-terminal Kinase Inhibitors as Therapeutics for Alzheimer's Disease: Investigating Structure through Docking Studies.
Cho et al. (2021)
3 more