› 5usy

X-ray diffraction
2Å resolution

JAK2 JH1 in complex with JNJ-7706621

Released:
DOI: 10.2210/pdb5usy/pdb
PDB entry 5usy coloured by chain, front view.
PDB entry 5usy coloured by chain, side view.
PDB entry 5usy coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Identification and Characterization of JAK2 Pseudokinase Domain Small Molecule Binders.
Puleo DE, Kucera K, Hammarén HM, Ungureanu D, Newton AS, Silvennoinen O, Jorgensen WL, Schlessinger J
ACS Med Chem Lett 8 618-621 (2017)
PMID: 28626521

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: 316 amino acids
Theoretical weight: 37.4 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

3 bound ligands:
Ligand SKE 2 x SKE
Ligand SO4 5 x SO4
Ligand GOL 3 x GOL
1 modified residue:
Ligand PTR 2 x PTR

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: C2
Unit cell:
a: 137.017Å b: 68.965Å c: 100.567Å
α: 90° β: 127.16° γ: 90°
R-values:
R R work R free
0.178 0.176 0.216
Expression system: Spodoptera frugiperda

Quick links

Citations

5 review citations

Janus kinases to jakinibs: from basic insights to clinical practice.
Gadina et al. (2019)
4 more

4 mentions without citation

Selective Janus Kinase 2 (JAK2) Pseudokinase Ligands with a Diaminotriazole Core.
Liosi et al. (2020)
3 more