› 5izf

X-ray diffraction
2.1Å resolution

Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1408

Released:
DOI: 10.2210/pdb5izf/pdb
PDB entry 5izf coloured by chain, front view.
PDB entry 5izf coloured by chain, side view.
PDB entry 5izf coloured by chain, top view.
Source organisms:
Primary publication:
Bifunctional Ligands for Inhibition of Tight-Binding Protein-Protein Interactions.
Ivan T, Enkvist E, Viira B, Manoharan GB, Raidaru G, Pflug A, Alam KA, Zaccolo M, Engh RA, Uri A
Bioconjug Chem 27 1900-10 (2016)
PMID: 27389935

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-148118 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
cAMP-dependent protein kinase catalytic subunit alpha Chain: A
Molecule details ›
Chain: A
Length: 351 amino acids
Theoretical weight: 40.81 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P17612 (Residues: 1-351; Coverage: 100%)
Gene names: PKACA, PRKACA
Sequence domains: Protein kinase domain
Structure domains:
6J9-ZEU-DAR-ACA-DAR-NH2 Chain: E
Molecule details ›
Chain: E
Length: 6 amino acids
Theoretical weight: 799 Da
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand SO4 4 x SO4
3 modified residues:
Ligand TPO 1 x TPO
Ligand SEP 1 x SEP
Ligand DAR 2 x DAR

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-4
Spacegroup: P6522
Unit cell:
a: 129.15Å b: 129.15Å c: 89.86Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.232 0.23 0.27
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

1 review citation

Photoresponsive Small Molecule Inhibitors for the Remote Control of Enzyme Activity.
Laczi et al. (2022)
7 other articles