› 5tq4

X-ray diffraction
2.3Å resolution

Design and Synthesis of a pan-JAK Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin

Released:
DOI: 10.2210/pdb5tq4/pdb
PDB entry 5tq4 coloured by chain, front view.
PDB entry 5tq4 coloured by chain, side view.
PDB entry 5tq4 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Design and Synthesis of a Pan-Janus Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin.
Jones P, Storer RI, Sabnis YA, Wakenhut FM, Whitlock GA, England KS, Mukaiyama T, Dehnhardt CM, Coe JW, Kortum SW, Chrencik JE, Brown DG, Jones RM, Murphy JR, Yeoh T, Morgan P, Kilty I
J Med Chem 60 767-786 (2017)
PMID: 27983835

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-130063 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tyrosine-protein kinase JAK2 Chain: A
Molecule details ›
Chain: A
Length: 298 amino acids
Theoretical weight: 35.03 KDa
Source organism: Homo sapiens
Expression system: Homo sapiens
UniProt:
  • Canonical: O60674 (Residues: 837-1132; Coverage: 26%)
Gene name: JAK2
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 7GY 1 x 7GY
1 modified residue:
Ligand PTR 2 x PTR

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: C2221
Unit cell:
a: 38.884Å b: 103.964Å c: 190.977Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.249 0.247 0.279
Expression system: Homo sapiens

Quick links

Citations

7 review citations

An Update on JAK Inhibitors.
Musumeci et al. (2019)
6 more