› 6vnk

X-ray diffraction
2Å resolution

JAK2 JH1 in complex with PN4-073

Released:
DOI: 10.2210/pdb6vnk/pdb
PDB entry 6vnk coloured by chain, front view.
PDB entry 6vnk coloured by chain, side view.
PDB entry 6vnk coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
Davis RR, Li B, Yun SY, Chan A, Nareddy P, Gunawan S, Ayaz M, Lawrence HR, Reuther GW, Lawrence NJ, Schönbrunn E
J Med Chem 64 2228-2241 (2021)
PMID: 33570945

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, C, D
Molecule details ›
Chains: A, B, C, D
Length: 308 amino acids
Theoretical weight: 36.46 KDa
Source organism: Homo sapiens
Expression system: Homo sapiens
UniProt:
  • Canonical: O60674 (Residues: 840-1132; Coverage: 26%)
Gene name: JAK2
Sequence domains: Protein tyrosine and serine/threonine kinase

Ligands and Environments

1 bound ligand:
Ligand RXT 4 x RXT
1 modified residue:
Ligand PTR 4 x PTR

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-B
Spacegroup: P21
Unit cell:
a: 111.672Å b: 70.434Å c: 112.786Å
α: 90° β: 90.61° γ: 90°
R-values:
R R work R free
0.219 0.218 0.244
Expression system: Homo sapiens

Quick links

Citations

8 review citations

Nitrile-containing pharmaceuticals: target, mechanism of action, and their SAR studies.
Wang et al. (2021)
7 more

2 mentions without citation

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