› 3g90

X-ray diffraction
2.4Å resolution

JNK-3 bound to (Z)-5-fluoro-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)indolin-2-one

Released:
DOI: 10.2210/pdb3g90/pdb
PDB entry 3g90 coloured by chain, front view.
PDB entry 3g90 coloured by chain, side view.
PDB entry 3g90 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-based design and parallel synthesis of N-benzyl isatin oximes as JNK3 MAP kinase inhibitors.
Cao J, Gao H, Bemis G, Salituro F, Ledeboer M, Harrington E, Wilke S, Taslimi P, Pazhanisamy S, Xie X, Jacobs M, Green J
Bioorg Med Chem Lett 19 2891-5 (2009)
PMID: 19361991

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: X
Molecule details ›
Chain: X
Length: 365 amino acids
Theoretical weight: 42.12 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P53779 (Residues: 40-402; Coverage: 78%)
Gene names: JNK3, JNK3A, MAPK10, PRKM10, SAPK1B
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand J72 1 x J72
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH3R
Spacegroup: P212121
Unit cell:
a: 49.655Å b: 72.289Å c: 107.189Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.218 0.216 0.266
Expression system: Escherichia coli

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Citations

1 review citation

Comprehensive survey of chemical libraries for drug discovery and chemical biology: 2009.
Dolle et al. (2010)
12 other articles

3 mentions without citation

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