› 3fup

X-ray diffraction
2.4Å resolution

Crystal structures of JAK1 and JAK2 inhibitor complexes

Released:
DOI: 10.2210/pdb3fup/pdb
PDB entry 3fup coloured by chain, front view.
PDB entry 3fup coloured by chain, side view.
PDB entry 3fup coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Dissecting specificity in the Janus kinases: the structures of JAK-specific inhibitors complexed to the JAK1 and JAK2 protein tyrosine kinase domains.
Williams NK, Bamert RS, Patel O, Wang C, Walden PM, Wilks AF, Fantino E, Rossjohn J, Lucet IS
J Mol Biol 387 219-32 (2009)
PMID: 19361440

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: 293 amino acids
Theoretical weight: 34.59 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: O60674 (Residues: 840-1132; Coverage: 26%)
Gene name: JAK2
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand MI1 2 x MI1
1 modified residue:
Ligand PTR 4 x PTR

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH2R
Spacegroup: P41
Unit cell:
a: 110.491Å b: 110.491Å c: 70.317Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.182 0.178 0.25
Expression system: Spodoptera frugiperda

Quick links

Citations

30 review citations

FDA-approved small-molecule kinase inhibitors.
Wu et al. (2015)
29 more

17 mentions without citation

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