› 8b99

X-ray diffraction
1.6Å resolution

Crystal structure of JAK2 JH2-V617F in complex with JNJ-7706621

Released:
DOI: 10.2210/pdb8b99/pdb
PDB entry 8b99 coloured by chain, front view.
PDB entry 8b99 coloured by chain, side view.
PDB entry 8b99 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Virtanen AT, Haikarainen T, Sampathkumar P, Palmroth M, Liukkonen S, Liu J, Nekhotiaeva N, Hubbard SR, Silvennoinen O
Pharmaceuticals (Basel) 16 (2023)
PMID: 36678572

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 Chain: A
Molecule details ›
Chain: A
Length: 289 amino acids
Theoretical weight: 33.28 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: O60674 (Residues: 536-812; Coverage: 25%)
Gene name: JAK2
Sequence domains: Protein tyrosine and serine/threonine kinase

Ligands and Environments

2 bound ligands:
Ligand GOL 2 x GOL
Ligand SKE 1 x SKE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P212121
Unit cell:
a: 53.413Å b: 56.724Å c: 114.509Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.19 0.189 0.211
Expression system: Spodoptera frugiperda

Quick links

Citations

1 citations in other articles

Structural Analysis of Janus Tyrosine Kinase Variants in Hematological Malignancies: Implications for Drug Development and Opportunities for Novel Therapeutic Strategies.
Rodriguez Moncivais et al. (2023)

1 mention without citation

Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Virtanen et al. (2023)