Crystal structure of human death associated protein kinase 3 (DAPK3) in complex with an imidazo-pyridazine ligand

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 19% strand (DSSP).

Ligands and binding sites

• 4RB · 4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzoic acid · ligand · chains A
• PGO · S-1,2-propanediol · additive · 2 copies · chains A
• GOL · Glycerol · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Compared structures

• 3BQR · Crystal structure of human death associated protein kinase 3 (DAPK3) in complex with an… · the same entry in another collection · chain A against A, TM-score 1.00
• O43293 · AlphaFold monomer V2.0 prediction for death-associated protein kinase 3 (O43293) · a predicted model of the same protein · chain A against A, TM-score 0.89

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt O43293
• Elsewhere: RCSB PDB 3BQR · PDBe 3BQR · UniProt O43293