› 2r9s

X-ray diffraction
2.4Å resolution

c-Jun N-terminal Kinase 3 with 3,5-Disubstituted Quinoline inhibitor

Released:
DOI: 10.2210/pdb2r9s/pdb
PDB entry 2r9s coloured by chain, front view.
PDB entry 2r9s coloured by chain, side view.
PDB entry 2r9s coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
3,5-Disubstituted quinolines as novel c-Jun N-terminal kinase inhibitors.
Jiang R, Duckett D, Chen W, Habel J, Ling YY, LoGrasso P, Kamenecka TM
Bioorg Med Chem Lett 17 6378-82 (2007)
PMID: 17911023

Function and Biology Details

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

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
Molecule details ›
Chains: A, B
Length: 356 amino acids
Theoretical weight: 41.28 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P53779 (Residues: 46-401; Coverage: 77%)
Gene names: JNK3, JNK3A, MAPK10, PRKM10, SAPK1B
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand 255 2 x 255
Ligand UNX 27 x UNX
Ligand TFA 2 x TFA
Ligand EDO 6 x EDO
1 modified residue:
Ligand OCY 6 x OCY

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL11-1
Spacegroup: P212121
Unit cell:
a: 68.318Å b: 81.344Å c: 123.76Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.209 0.205 0.29
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

15 citation in other articles

Synthesis, biological evaluation, X-ray structure, and pharmacokinetics of aminopyrimidine c-jun-N-terminal kinase (JNK) inhibitors.
Kamenecka et al. (2010)
14 more

3 mentions without citation

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