› 2waj

X-ray diffraction
2.4Å resolution

Crystal structure of human Jnk3 complexed with a 1-aryl-3,4- dihydroisoquinoline inhibitor

Released:
DOI: 10.2210/pdb2waj/pdb
PDB entry 2waj coloured by chain, front view.
PDB entry 2waj coloured by chain, side view.
PDB entry 2waj coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
1-Aryl-3,4-dihydroisoquinoline inhibitors of JNK3.
Christopher JA, Atkinson FL, Bax BD, Brown MJ, Champigny AC, Chuang TT, Jones EJ, Mosley JE, Musgrave JR
Bioorg Med Chem Lett 19 2230-4 (2009)
PMID: 19303774

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: 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 SNB 1 x SNB
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P212121
Unit cell:
a: 51.659Å b: 71.339Å c: 107.541Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.187 0.183 0.264
Expression system: Escherichia coli

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Citations

2 review citations

Experimental and theoretical perspectives of the Noyori-Ikariya asymmetric transfer hydrogenation of imines.
Václavík et al. (2014)
1 more

5 mentions without citation

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