› 4uj9

X-ray diffraction
1.87Å resolution

Protein Kinase A in complex with an Inhibitor

Released:
DOI: 10.2210/pdb4uj9/pdb
PDB entry 4uj9 coloured by chain, front view.
PDB entry 4uj9 coloured by chain, side view.
PDB entry 4uj9 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of PKA and a PKB Mimic.
Lauber BS, Hardegger LA, Alam KA, Lund BA, Dumele O, Harder M, Kuhn B, Engh RA, Diederich F
Chemistry 22 211-21 (2016)
PMID: 26578105

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-148114 (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: 40.81 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P17612 (Residues: 1-351; Coverage: 100%)
Gene names: PKACA, PRKACA
Sequence domains: Protein kinase domain
Structure domains:
cAMP-dependent protein kinase inhibitor alpha Chain: B
Molecule details ›
Chain: B
Length: 20 amino acids
Theoretical weight: 2.23 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: P61925 (Residues: 6-25; Coverage: 26%)
Gene names: PKIA, PRKACN1

Ligands and Environments

2 bound ligands:
Ligand S3N 1 x S3N
Ligand MPD 2 x MPD
2 modified residues:
Ligand TPO 1 x TPO
Ligand SEP 1 x SEP

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF
Spacegroup: P212121
Unit cell:
a: 72.701Å b: 75.216Å c: 80.314Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.167 0.165 0.206
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

1 review citation

Urea-aromatic interactions in biology.
Raghunathan et al. (2020)
6 other articles