› 6ny4

X-ray diffraction
2.33Å resolution

Crystal structure of JAK3 kinase domain in complex with a pyrrolopyridazine carboxamide inhibitor

Released:
DOI: 10.2210/pdb6ny4/pdb
PDB entry 6ny4 coloured by chain, front view.
PDB entry 6ny4 coloured by chain, side view.
PDB entry 6ny4 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of a JAK1/3 Inhibitor and Use of a Prodrug To Demonstrate Efficacy in a Model of Rheumatoid Arthritis.
Spergel SH, Mertzman ME, Kempson J, Guo J, Stachura S, Haque L, Lippy JS, Zhang RF, Galella M, Pitt S, Shen G, Fura A, Gillooly K, McIntyre KW, Tang V, Tokarski J, Sack JS, Khan J, Carter PH, Barrish JC, Nadler SG, Salter-Cid LM, Schieven GL, Wrobleski ST, Pitts WJ
ACS Med Chem Lett 10 306-311 (2019)
PMID: 30891131

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 Z3A 1 x Z3A
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: CLSI BEAMLINE 08ID-1
Spacegroup: P212121
Unit cell:
a: 46.95Å b: 75.53Å c: 87.79Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.216 0.215 0.241
Expression system: Spodoptera frugiperda

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Citations

1 review citation

Endothelial activation and dysfunction in COVID-19: from basic mechanisms to potential therapeutic approaches.
Jin et al. (2020)
3 other articles

1 mention without citation

A Potential Anticancer Mechanism of Finger Root (Boesenbergia rotunda) Extracts against a Breast Cancer Cell Line.
Widyananda et al. (2022)