› 5tq6

X-ray diffraction
2.06Å 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/pdb5tq6/pdb
PDB entry 5tq6 coloured by chain, front view.
PDB entry 5tq6 coloured by chain, side view.
PDB entry 5tq6 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 Chains: A, B
Molecule details ›
Chains: A, B
Length: 304 amino acids
Theoretical weight: 35.91 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 7GV 2 x 7GV
1 modified residue:
Ligand PTR 4 x PTR

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P21
Unit cell:
a: 36.981Å b: 183.403Å c: 52.582Å
α: 90° β: 110.59° γ: 90°
R-values:
R R work R free
0.259 0.257 0.289
Expression system: Homo sapiens

Quick links

Citations

8 review citations

Kinase inhibition in autoimmunity and inflammation.
Zarrin et al. (2021)
7 more

1 mention without citation

A convenient test system for the identification of CYP4V2 inhibitors.
Sharma et al. (2021)