› 3bhy

X-ray diffraction
1.24Å resolution

Crystal structure of human death associated protein kinase 3 (DAPK3) in complex with a beta-carboline ligand

Released:
DOI: 10.2210/pdb3bhy/pdb
PDB entry 3bhy coloured by chain, front view.
PDB entry 3bhy coloured by chain, side view.
PDB entry 3bhy coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
7,8-dichloro-1-oxo-β-carbolines as a versatile scaffold for the development of potent and selective kinase inhibitors with unusual binding modes.
Huber K, Brault L, Fedorov O, Gasser C, Filippakopoulos P, Bullock AN, Fabbro D, Trappe J, Schwaller J, Knapp S, Bracher F
J Med Chem 55 403-13 (2012)
PMID: 22136433

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-128885 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Death-associated protein kinase 3 Chain: A
Molecule details ›
Chain: A
Length: 283 amino acids
Theoretical weight: 32.55 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: O43293 (Residues: 9-289; Coverage: 62%)
Gene names: DAPK3, ZIPK
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand CL 1 x CL
Ligand 7CP 1 x 7CP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P21
Unit cell:
a: 33.549Å b: 90.68Å c: 41.464Å
α: 90° β: 100.45° γ: 90°
R-values:
R R work R free
0.146 0.143 0.187
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Death-associated protein kinase (DAPK) family modulators: Current and future therapeutic outcomes.
Farag et al. (2019)
1 more

8 mentions without citation

Opportunities to Target Specific Contractile Abnormalities with Smooth Muscle Protein Kinase Inhibitors.
Ulke-Lemée et al. (2010)
7 more