› 6aak

X-ray diffraction
2.67Å resolution

Crystal structure of JAK3 in complex with peficitinib

Released:
DOI: 10.2210/pdb6aak/pdb
PDB entry 6aak coloured by chain, front view.
PDB entry 6aak coloured by chain, side view.
PDB entry 6aak coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery and structural characterization of peficitinib (ASP015K) as a novel and potent JAK inhibitor.
Hamaguchi H, Amano Y, Moritomo A, Shirakami S, Nakajima Y, Nakai K, Nomura N, Ito M, Higashi Y, Inoue T
Bioorg Med Chem 26 4971-4983 (2018)
PMID: 30145050

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:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-156549 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tyrosine-protein kinase JAK3 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 287 amino acids
Theoretical weight: 32.86 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: P52333 (Residues: 814-1100; Coverage: 26%)
Gene name: JAK3
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 9T6 4 x 9T6
1 modified residue:
Ligand PTR 8 x PTR

Experiments and Validation Details

Entry percentile scores
X-ray source: CLSI BEAMLINE 08ID-1
Spacegroup: P21
Unit cell:
a: 57.076Å b: 114.644Å c: 107.358Å
α: 90° β: 97.65° γ: 90°
R-values:
R R work R free
0.269 0.269 0.326
Expression system: Not provided

Quick links

Citations

4 review citations

[Biologicals and small molecules for rheumatoid arthritis].
Blüml S. (2020)
3 more

4 mentions without citation

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