› 3rvg

X-ray diffraction
2.5Å resolution

Crystals structure of Jak2 with a 1-amino-5H-pyrido[4,3-b]indol-4-carboxamide inhibitor

Released:
DOI: 10.2210/pdb3rvg/pdb
PDB entry 3rvg coloured by chain, front view.
PDB entry 3rvg coloured by chain, side view.
PDB entry 3rvg coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of 1-amino-5H-pyrido[4,3-b]indol-4-carboxamide inhibitors of Janus kinase 2 (JAK2) for the treatment of myeloproliferative disorders.
Lim J, Taoka B, Otte RD, Spencer K, Dinsmore CJ, Altman MD, Chan G, Rosenstein C, Sharma S, Su HP, Szewczak AA, Xu L, Yin H, Zugay-Murphy J, Marshall CG, Young JR
J Med Chem 54 7334-49 (2011)
PMID: 21942426

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: 303 amino acids
Theoretical weight: 35.8 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: O60674 (Residues: 835-1132; Coverage: 26%)
Gene name: JAK2
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 17P 1 x 17P
1 modified residue:
Ligand PTR 2 x PTR

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-BM
Spacegroup: P65
Unit cell:
a: 124.433Å b: 124.433Å c: 36.734Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.225 0.221 0.3
Expression system: Spodoptera frugiperda

Quick links

Citations

3 review citations

Selective JAK inhibitors.
Dymock et al. (2014)
2 more

3 mentions without citation

Combined inhibition of JAK1/2 and DNMT1 by newly identified small-molecule compounds synergistically suppresses the survival and proliferation of cervical cancer cells.
She et al. (2020)
2 more