› 4qps

X-ray diffraction
1.8Å resolution

Crystal structure of Jak3 complexed to N-[3-(6-Phenylamino-pyrazin-2-yl)-3H-benzoimidazol-5-yl]-acrylamide

Released:
DOI: 10.2210/pdb4qps/pdb
PDB entry 4qps coloured by chain, front view.
PDB entry 4qps coloured by chain, side view.
PDB entry 4qps coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Tricyclic covalent inhibitors selectively target Jak3 through an active site thiol.
Goedken ER, Argiriadi MA, Banach DL, Fiamengo BA, Foley SE, Frank KE, George JS, Harris CM, Hobson AD, Ihle DC, Marcotte D, Merta PJ, Michalak ME, Murdock SE, Tomlinson MJ, Voss JW
J Biol Chem 290 4573-4589 (2015)
PMID: 25552479

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 Chains: A, C
Molecule details ›
Chains: A, C
Length: 293 amino acids
Theoretical weight: 33.3 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P52333 (Residues: 811-1103; Coverage: 26%)
Gene name: JAK3
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 37Q 2 x 37Q
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P21
Unit cell:
a: 79.511Å b: 43.877Å c: 81.695Å
α: 90° β: 115.26° γ: 90°
R-values:
R R work R free
0.21 0.207 0.251
Expression system: Spodoptera frugiperda

Quick links

Citations

12 review citations

JAK inhibition as a therapeutic strategy for immune and inflammatory diseases.
Schwartz et al. (2017)
11 more

4 mentions without citation

Tricyclic covalent inhibitors selectively target Jak3 through an active site thiol.
Goedken et al. (2015)
3 more