› 5a6o

X-ray diffraction
1.6Å resolution

Crystal structure of the apo form of the unphosphorylated human death associated protein kinase 3 (DAPK3)

Released:
DOI: 10.2210/pdb5a6o/pdb
PDB entry 5a6o coloured by chain, front view.
PDB entry 5a6o coloured by chain, side view.
PDB entry 5a6o coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
De Novo Fragment Design for Drug Discovery and Chemical Biology.
Rodrigues T, Reker D, Welin M, Caldera M, Brunner C, Gabernet G, Schneider P, Walse B, Schneider G
Angew Chem Int Ed Engl 54 15079-83 (2015)
PMID: 26486226

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:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-128886 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Death-associated protein kinase 3 Chains: A, B
Molecule details ›
Chains: A, B
Length: 283 amino acids
Theoretical weight: 32.55 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
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 GOL 3 x GOL
Ligand PGO 2 x PGO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: MAX II BEAMLINE I911-3
Spacegroup: P212121
Unit cell:
a: 80.569Å b: 87.465Å c: 90.711Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.196 0.194 0.224
Expression system: Escherichia coli BL21(DE3)

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Citations

2 review citations

Automating drug discovery.
Schneider G. (2018)
1 more