› 4txc

X-ray diffraction
1.95Å resolution

Crystal Structure of DAPK1 kinase domain in complex with a small molecule inhibitor

Released:
DOI: 10.2210/pdb4txc/pdb
PDB entry 4txc coloured by chain, front view.
PDB entry 4txc coloured by chain, side view.
PDB entry 4txc coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Identification and characterization of a small-molecule inhibitor of death-associated protein kinase 1.
Wilbek TS, Skovgaard T, Sorrell FJ, Knapp S, Berthelsen J, Strømgaard K
OpenAccess logo Chembiochem 16 59-63 (2015)
PMID: 25382253

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-156788 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Death-associated protein kinase 1 Chain: A
Molecule details ›
Chain: A
Length: 304 amino acids
Theoretical weight: 34.77 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P53355 (Residues: 1-285; Coverage: 20%)
Gene names: DAPK, DAPK1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand 38G 1 x 38G
Ligand EDO 6 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: P212121
Unit cell:
a: 49.9Å b: 77.29Å c: 110.12Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.182 0.18 0.216
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

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

5 mentions without citation

Reprofiling of pyrimidine-based DAPK1/CSF1R dual inhibitors: identification of 2,5-diamino-4-pyrimidinol derivatives as novel potential anticancer lead compounds.
Farag et al. (2020)
4 more