› 3eyg

X-ray diffraction
1.9Å resolution

Crystal structures of JAK1 and JAK2 inhibitor complexes

Released:
DOI: 10.2210/pdb3eyg/pdb
PDB entry 3eyg coloured by chain, front view.
PDB entry 3eyg coloured by chain, side view.
PDB entry 3eyg 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-149968 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tyrosine-protein kinase JAK1 Chain: A
Molecule details ›
Chain: A
Length: 290 amino acids
Theoretical weight: 33.49 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P23458 (Residues: 865-1154; Coverage: 25%)
Gene names: JAK1, JAK1A, JAK1B
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Spacegroup: C2221
Unit cell:
a: 45.025Å b: 88.218Å c: 145.834Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.171 0.169 0.214
Expression system: Escherichia coli

Quick links

Citations

28 review citations

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

38 mentions without citation

Perspectives for the use of structural information and chemical genetics to develop inhibitors of Janus kinases.
Haan et al. (2010)
37 more