› 8b9e

X-ray diffraction
1.5Å resolution

Crystal structure of JAK2 JH2-V617F in complex with Z902-A3

Released:
DOI: 10.2210/pdb8b9e/pdb
Model geometry
Fit model/data
PDB entry 8b9e coloured by chain, front view.
PDB entry 8b9e coloured by chain, side view.
PDB entry 8b9e 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
OpenAccess logo 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 Q7F 1 x Q7F
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P212121
Unit cell:
a: 53.466Å b: 56.555Å c: 114.932Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.17 0.169 0.194
Expression system: Spodoptera frugiperda

Quick links

Citations

1 review citation

Biological Evaluations and Computer-Aided Approaches of Janus Kinases 2 and 3 Inhibitors for Cancer Treatment: A Review.
Vázquez-Jiménez et al. (2024)
3 other articles

1 mention without citation

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