› 3tjd

X-ray diffraction
2.9Å resolution

co-crystal structure of Jak2 with thienopyridine 19

Released:
DOI: 10.2210/pdb3tjd/pdb
PDB entry 3tjd coloured by chain, front view.
PDB entry 3tjd coloured by chain, side view.
PDB entry 3tjd coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of potent and highly selective thienopyridine Janus kinase 2 inhibitors.
Schenkel LB, Huang X, Cheng A, Deak HL, Doherty E, Emkey R, Gu Y, Gunaydin H, Kim JL, Lee J, Loberg R, Olivieri P, Pistillo J, Tang J, Wan Q, Wang HL, Wang SW, Wells MC, Wu B, Yu V, Liu L, Geuns-Meyer S
J Med Chem 54 8440-50 (2011)
PMID: 22087750

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: 298 amino acids
Theoretical weight: 35.12 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
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 6TP 2 x 6TP
1 modified residue:
Ligand PTR 4 x PTR

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.2
Spacegroup: P41
Unit cell:
a: 111.82Å b: 111.82Å c: 71.12Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.286 0.286 0.312
Expression system: Spodoptera frugiperda

Quick links

Citations

3 review citations

Selective JAK1 inhibitor and selective Tyk2 inhibitor patents.
Norman P. (2012)
2 more

3 mentions without citation

Targeting substrate-site in Jak2 kinase prevents emergence of genetic resistance.
Kesarwani et al. (2015)
2 more