› 4e73

X-ray diffraction
2.27Å resolution

Crystal structure of JNK1beta-JIP in complex with an azaquinolone inhbitor

Released:
DOI: 10.2210/pdb4e73/pdb
PDB entry 4e73 coloured by chain, front view.
PDB entry 4e73 coloured by chain, side view.
PDB entry 4e73 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Identification of an Adamantyl Azaquinolone JNK Selective Inhibitor.
Haynes NE, Scott NR, Chen LC, Janson CA, Li JK, Lukacs CM, Railkar A, Tozzo E, Whittard T, Brown NF, Cheung AW
ACS Med Chem Lett 3 764-8 (2012)
PMID: 24900545

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:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-155386 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Mitogen-activated protein kinase 8 Chain: A
Molecule details ›
Chain: A
Length: 369 amino acids
Theoretical weight: 42.59 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P45983 (Residues: 1-363; Coverage: 85%)
Gene names: JNK1, MAPK8, PRKM8, SAPK1, SAPK1C
Sequence domains: Protein kinase domain
Structure domains:
C-Jun-amino-terminal kinase-interacting protein 1 Chain: B
Molecule details ›
Chain: B
Length: 11 amino acids
Theoretical weight: 1.32 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q9UQF2 (Residues: 157-167; Coverage: 2%)
Gene names: IB1, JIP1, MAPK8IP1, PRKM8IP

Ligands and Environments

1 bound ligand:
Ligand 0NR 1 x 0NR
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 31-ID
Spacegroup: P212121
Unit cell:
a: 62.901Å b: 79.84Å c: 85.524Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.249 0.247 0.282
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

3 review citations

Selective inhibitors for JNK signalling: a potential targeted therapy in cancer.
Wu et al. (2020)
2 more

6 mentions without citation

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