› 4c34

X-ray diffraction
1.78Å resolution

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132597 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
cAMP-dependent protein kinase catalytic subunit alpha Chain: A
Molecule details ›
Chain: A
Length: 351 amino acids
Theoretical weight: 41.03 KDa
Source organism: Bos taurus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P00517 (Residues: 1-351; Coverage: 100%)
Gene name: PRKACA
Sequence domains: Protein kinase domain
Structure domains:
cAMP-dependent protein kinase inhibitor alpha Chain: I
Molecule details ›
Chain: I
Length: 18 amino acids
Theoretical weight: 1.97 KDa
Source organism: Bos taurus
Expression system: Not provided
UniProt:
  • Canonical: Q3SX13 (Residues: 6-23; Coverage: 24%)
Gene name: PKIA

Ligands and Environments

3 bound ligands:
Ligand STU 1 x STU
Ligand GOL 1 x GOL
Ligand MG8 1 x MG8
2 modified residues:
Ligand SEP 3 x SEP
Ligand TPO 1 x TPO

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I02
Spacegroup: P212121
Unit cell:
a: 69.43Å b: 72.71Å c: 77.09Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.18 0.178 0.214
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

2 review citations

Concepts and Molecular Aspects in the Polypharmacology of PARP-1 Inhibitors.
Passeri et al. (2016)
1 more

1 mention without citation

The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design.
Couty et al. (2013)