PDBe 3e64

X-ray diffraction
1.8Å resolution

Fragment based discovery of JAK-2 inhibitors

Released:
Source organism: Homo sapiens
Primary publication:
Fragment-based discovery of JAK-2 inhibitors.
Bioorg. Med. Chem. Lett. 19 279-82 (2009)
PMID: 19019674

Function and Biology Details

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tyrosine-protein kinase JAK2 Chain: A
Molecule details ›
Chain: A
Length: 293 amino acids
Theoretical weight: 34.68 KDa
Source organism: Homo sapiens
Expression system: unidentified baculovirus
UniProt:
  • Canonical: O60674 (Residues: 839-1131; Coverage: 26%)
Gene name: JAK2
Sequence domains: Protein tyrosine kinase
Structure domains:

Ligands and Environments

1 bound ligand:

1 modified residue:

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 31-ID
Spacegroup: C2221
Unit cell:
a: 93.443Å b: 103.121Å c: 68.12Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.172 0.169 0.22
Expression system: unidentified baculovirus