› 4c61

X-ray diffraction
2.45Å resolution

Inhibitors of Jak2 Kinase domain

Released:
DOI: 10.2210/pdb4c61/pdb
PDB entry 4c61 coloured by chain, front view.
PDB entry 4c61 coloured by chain, side view.
PDB entry 4c61 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of 1-methyl-1H-imidazole derivatives as potent Jak2 inhibitors.
Su Q, Ioannidis S, Chuaqui C, Almeida L, Alimzhanov M, Bebernitz G, Bell K, Block M, Howard T, Huang S, Huszar D, Read JA, Rivard Costa C, Shi J, Su M, Ye M, Zinda M
J Med Chem 57 144-58 (2014)
PMID: 24359159

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: 298 amino acids
Theoretical weight: 35.1 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: O60674 (Residues: 835-1132; Coverage: 26%)
Gene name: JAK2
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand LMM 2 x LMM
Ligand ACT 3 x ACT
1 modified residue:
Ligand PTR 4 x PTR

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007
Spacegroup: C2
Unit cell:
a: 43.88Å b: 127.09Å c: 135.21Å
α: 90° β: 97.33° γ: 90°
R-values:
R R work R free
0.182 0.181 0.217
Expression system: Escherichia coli BL21

Quick links

Citations

4 review citations

Inhibitors of JAK-family kinases: an update on the patent literature 2013-2015, part 1.
Kettle et al. (2017)
3 more

6 mentions without citation

Development of a novel azaspirane that targets the Janus kinase-signal transducer and activator of transcription (STAT) pathway in hepatocellular carcinoma in vitro and in vivo.
Mohan et al. (2014)
5 more