› 5izj

X-ray diffraction
1.85Å resolution

Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1411

Released:
DOI: 10.2210/pdb5izj/pdb
PDB entry 5izj coloured by chain, front view.
PDB entry 5izj coloured by chain, side view.
PDB entry 5izj coloured by chain, top view.
Source organism: Homo sapiens
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-219336 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
cAMP-dependent protein kinase catalytic subunit alpha Chains: A, B
Molecule details ›
Chains: A, B
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
47P-AZ1-DAR-DAR Chain: G
Molecule details ›
Chain: G
Length: 5 amino acids
Theoretical weight: 672 Da
Source organism: Homo sapiens
Expression system: Not provided
47P-AZ1-DAR-DAR-DAR Chain: F
Molecule details ›
Chain: F
Length: 6 amino acids
Theoretical weight: 829 Da
Source organism: Homo sapiens
Expression system: Not provided

Ligands and Environments

2 bound ligands:
Ligand PO4 26 x PO4
Ligand 6J9 2 x 6J9
3 modified residues:
Ligand TPO 2 x TPO
Ligand SEP 2 x SEP
Ligand DAR 5 x DAR

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: P21
Unit cell:
a: 63.94Å b: 84.99Å c: 77.01Å
α: 90° β: 90.09° γ: 90°
R-values:
R R work R free
0.198 0.197 0.226
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)
6 other articles

2 mentions without citation

A Quantitative Proteomic Approach Explores the Possible Mechanisms by Which the Small Molecule Stemazole Promotes the Survival of Human Neural Stem Cells.
Chen et al. (2022)
1 more