› 2o2u

X-ray diffraction
2.45Å resolution

Crystal structure of human JNK3 complexed with N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide

Released:
DOI: 10.2210/pdb2o2u/pdb
PDB entry 2o2u coloured by chain, front view.
PDB entry 2o2u coloured by chain, side view.
PDB entry 2o2u coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amides as potent, selective, inhibitors of JNK2 and JNK3.
Angell RM, Atkinson FL, Brown MJ, Chuang TT, Christopher JA, Cichy-Knight M, Dunn AK, Hightower KE, Malkakorpi S, Musgrave JR, Neu M, Rowland P, Shea RL, Smith JL, Somers DO, Thomas SA, Thompson G, Wang R
Bioorg Med Chem Lett 17 1296-301 (2007)
PMID: 17194588

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 Chain: A
Molecule details ›
Chain: A
Length: 364 amino acids
Theoretical weight: 42.06 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

1 bound ligand:
Ligand 738 1 x 738
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P212121
Unit cell:
a: 52.321Å b: 71.376Å c: 107.57Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.234 0.232 0.281
Expression system: Escherichia coli

Quick links

Citations

3 review citations

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

2 mentions without citation

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