› 3ttj

X-ray diffraction
2.1Å resolution

Crystal Structure of JNK3 complexed with CC-359, a JNK inhibitor for the prevention of ischemia-reperfusion injury

Released:
DOI: 10.2210/pdb3ttj/pdb
PDB entry 3ttj coloured by chain, front view.
PDB entry 3ttj coloured by chain, side view.
PDB entry 3ttj coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Aminopurine based JNK inhibitors for the prevention of ischemia reperfusion injury.
Krenitsky VP, Delgado M, Nadolny L, Sahasrabudhe K, Ayala L, Clareen SS, Hilgraf R, Albers R, Kois A, Hughes K, Wright J, Nowakowski J, Sudbeck E, Ghosh S, Bahmanyar S, Chamberlain P, Muir J, Cathers BE, Giegel D, Xu L, Celeridad M, Moghaddam M, Khatsenko O, Omholt P, Katz J, Pai S, Fan R, Tang Y, Shirley MA, Benish B, Blease K, Raymon H, Bhagwat S, Henderson I, Cole AG, Bennett B, Satoh Y
Bioorg Med Chem Lett 22 1427-32 (2012)
PMID: 22226655

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
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: 464 amino acids
Theoretical weight: 52.65 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P53779 (Residues: 1-464; Coverage: 100%)
Gene names: JNK3, JNK3A, MAPK10, PRKM10, SAPK1B
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E SUPERBRIGHT
Spacegroup: P212121
Unit cell:
a: 52.173Å b: 70.733Å c: 106.396Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.206 0.202 0.272
Expression system: Escherichia coli

Quick links

Citations

4 review citations

c-Jun N-Terminal Kinases (JNKs) in Myocardial and Cerebral Ischemia/Reperfusion Injury.
Shvedova et al. (2018)
3 more

5 mentions without citation

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