› 5j5x

X-ray diffraction
2.6Å resolution

Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1416

Released:
DOI: 10.2210/pdb5j5x/pdb
PDB entry 5j5x coloured by chain, front view.
PDB entry 5j5x coloured by chain, side view.
PDB entry 5j5x 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-148120 (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
47P-AZ1-DAL-DAR-DAR-DAR-DAR Chain: B
Molecule details ›
Chain: B
Length: 8 amino acids
Theoretical weight: 1.06 KDa
Source organism: Homo sapiens
Expression system: Not provided

Ligands and Environments

2 bound ligands:
Ligand SO4 3 x SO4
Ligand 6J9 1 x 6J9
4 modified residues:
Ligand TPO 1 x TPO
Ligand SEP 1 x SEP
Ligand DAL 1 x DAL
Ligand DAR 4 x DAR

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: P6522
Unit cell:
a: 127.023Å b: 127.023Å c: 89.631Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.24 0.237 0.309
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