› 5wfj

X-ray diffraction
2.48Å resolution

THE JAK3 KINASE DOMAIN IN COMPLEX WITH A COVALENT INHIBITOR

Released:
DOI: 10.2210/pdb5wfj/pdb
PDB entry 5wfj coloured by chain, front view.
PDB entry 5wfj coloured by chain, side view.
PDB entry 5wfj coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of highly potent, selective, covalent inhibitors of JAK3.
Kempson J, Ovalle D, Guo J, Wrobleski ST, Lin S, Spergel SH, Duan JJ, Jiang B, Lu Z, Das J, Yang BV, Hynes J, Wu H, Tokarski J, Sack JS, Khan J, Schieven G, Blatt Y, Chaudhry C, Salter-Cid LM, Fura A, Barrish JC, Carter PH, Pitts WJ
Bioorg Med Chem Lett 27 4622-4625 (2017)
PMID: 28927786

Function and Biology Details

Reaction catalysed: 
ATP + a [protein]-L-tyrosine = ADP + a [protein]-L-tyrosine phosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-156548 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tyrosine-protein kinase JAK3 Chain: A
Molecule details ›
Chain: A
Length: 293 amino acids
Theoretical weight: 33.25 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P52333 (Residues: 810-1100; Coverage: 26%)
Gene name: JAK3
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 9Z4 1 x 9Z4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P212121
Unit cell:
a: 47.34Å b: 75.69Å c: 88.95Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.205 0.2 0.255
Expression system: Spodoptera frugiperda

Quick links

Citations

4 review citations

Are peptides a solution for the treatment of hyperactivated JAK3 pathways?
Dullius et al. (2019)
3 more