› 3pjc

X-ray diffraction
2.2Å resolution

Crystal structure of JAK3 complexed with a potent ATP site inhibitor showing high selectivity within the Janus kinase family

Released:
DOI: 10.2210/pdb3pjc/pdb
PDB entry 3pjc coloured by chain, front view.
PDB entry 3pjc coloured by chain, side view.
PDB entry 3pjc coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Identification of a potent Janus kinase 3 inhibitor with high selectivity within the Janus kinase family.
Thoma G, Nuninger F, Falchetto R, Hermes E, Tavares GA, Vangrevelinghe E, Zerwes HG
J Med Chem 54 284-8 (2011)
PMID: 21155605

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: 315 amino acids
Theoretical weight: 35.7 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P52333 (Residues: 812-1124; Coverage: 28%)
Gene name: JAK3
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P212121
Unit cell:
a: 41.722Å b: 71.991Å c: 107.8Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.182 0.18 0.215
Expression system: Spodoptera frugiperda

Quick links

Citations

8 review citations

The emerging safety profile of JAK inhibitors in rheumatic disease.
Winthrop KL. (2017)
7 more

5 mentions without citation

A Comprehensive Overview of Globally Approved JAK Inhibitors.
Shawky et al. (2022)
4 more