› 3v6r

X-ray diffraction
2.6Å resolution

Discovery of potent and selective covalent inhibitors of JNK

Released:
DOI: 10.2210/pdb3v6r/pdb
PDB entry 3v6r coloured by chain, front view.
PDB entry 3v6r coloured by chain, side view.
PDB entry 3v6r coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of potent and selective covalent inhibitors of JNK.
Zhang T, Inesta-Vaquera F, Niepel M, Zhang J, Ficarro SB, Machleidt T, Xie T, Marto JA, Kim N, Sim T, Laughlin JD, Park H, LoGrasso PV, Patricelli M, Nomanbhoy TK, Sorger PK, Alessi DR, Gray NS
Chem Biol 19 140-54 (2012)
PMID: 22284361

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 Chains: A, B
Molecule details ›
Chains: A, B
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 CQQ 2 x CQQ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL11-1
Spacegroup: P21212
Unit cell:
a: 110.297Å b: 157.259Å c: 44.108Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.21 0.207 0.264
Expression system: Escherichia coli

Quick links

Citations

34 review citations

Mitogen-activated protein kinases in innate immunity.
Arthur et al. (2013)
33 more

9 mentions without citation

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