PDBe 3v3v

X-ray diffraction
2.7Å resolution

Structural and functional analysis of quercetagetin, a natural JNK1 inhibitor

Released:

Function and Biology Details

Reaction catalysed:
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assemblies composition:
hetero dimer (preferred)
hetero tetramer
hetero 16-mer
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Mitogen-activated protein kinase 8 Chain: A
Molecule details ›
Chain: A
Length: 379 amino acids
Theoretical weight: 43.67 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P45983 (Residues: 1-366; Coverage: 86%)
  • Best match: P45983-3 (Residues: 1-366)
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: 1.35 KDa
Source organism: Mus musculus
Expression system: Not provided
UniProt:
  • Canonical: Q9WVI9 (Residues: 153-163; Coverage: 2%)
Gene names: Ib1, Jip1, Mapk8ip, Mapk8ip1, Prkm8ip

Ligands and Environments

3 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: I422
Unit cell:
a: 172.37Å b: 172.37Å c: 86.04Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.228 0.227 0.266
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided