5KHW: Crystal structure of JAK1 in complex with ADP

Crystals of phosphorylated JAK1 kinase domain were initially generated in complex with nucleotide (ADP) and magnesium. The tightly bound Mg(2+)-ADP at the ATP-binding site proved recalcitrant to ligand displacement. Addition of a molar excess of EDTA helped to dislodge the divalent metal ion, promoting the release of ADP and allowing facile exchange with ATP-competitive small-molecule ligands. Many kinases require the presence of a stabilizing ligand in the ATP site for crystallization. This procedure could be useful for developing co-crystallization systems with an exchangeable ligand to enable structure-based drug design of other protein kinases.
PDB ID: 5KHWDownload
MMDB ID: 144758
PDB Deposition Date: 2016/6/16
Updated in MMDB: 2016/11
Experimental Method:
x-ray diffraction
Resolution: 2.47  Å
Source Organism:
Similar Structures:
Biological Unit for 5KHW: monomeric; determined by author and by software (PISA)
Molecular Components in 5KHW
Label Count Molecule
Protein (1 molecule)
Tyrosine-protein Kinase Jak1(Gene symbol: JAK1)
Molecule annotation
Chemicals (2 molecules)
* Click molecule labels to explore molecular sequence information.

Citing MMDB