› 4hge

X-ray diffraction
2.3Å resolution

JAK2 kinase (JH1 domain) in complex with compound 8

Released:
DOI: 10.2210/pdb4hge/pdb
PDB 4hge coloured by chain and viewed from the front.
PDB 4hge coloured by chain and viewed from the side.
PDB 4hge coloured by chain and viewed from the top.
Source organism: Homo sapiens
Primary publication:
Discovery of potent and selective pyrazolopyrimidine janus kinase 2 inhibitors.
Hanan EJ, van Abbema A, Barrett K, Blair WS, Blaney J, Chang C, Eigenbrot C, Flynn S, Gibbons P, Hurley CA, Kenny JR, Kulagowski J, Lee L, Magnuson SR, Morris C, Murray J, Pastor RM, Rawson T, Siu M, Ultsch M, Zhou A, Sampath D, Lyssikatos JP
J. Med. Chem. 55 10090-107 (2012)
PMID: 23061660

Function and Biology Details

Reaction catalysed: 
ATP + a [protein]-L-tyrosine = ADP + a [protein]-L-tyrosine phosphate
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tyrosine-protein kinase JAK2 Chains: A, B
Molecule details ›
Chains: A, B
Length: 300 amino acids
Theoretical weight: 35.34 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: O60674 (Residues: 833-1132; Coverage: 27%)
Gene name: JAK2
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 15V 2 x 15V
1 modified residue:
Ligand PTR 4 x PTR

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.1
Spacegroup: P41
Unit cell:
a: 111.898Å b: 111.898Å c: 70.572Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.182 0.181 0.227
Expression system: Spodoptera frugiperda

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Citations

7 review citations

Evaluation of Substituted Pyrazole-Based Kinase Inhibitors in One Decade (2011-2020): Current Status and Future Prospects.
El-Gamal et al. (2022)
6 more

4 mentions without citation

Divide-and-conquer strategy for large-scale Eulerian solvent excluded surface.
Zhao et al. (2018)
3 more