› 5uzk

X-ray diffraction
2.3Å resolution

Crystal Structure of PKA bound to an pyrrolo pyridine inhibitor

Released:
DOI: 10.2210/pdb5uzk/pdb
PDB entry 5uzk coloured by chain, front view.
PDB entry 5uzk coloured by chain, side view.
PDB entry 5uzk coloured by chain, top view.
Source organisms:
Primary publication:
ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors.
Bandarage UK, Cao J, Come JH, Court JJ, Gao H, Jacobs MD, Marhefka C, Nanthakumar S, Green J
Bioorg Med Chem Lett 28 2622-2626 (2018)
PMID: 30082069

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-148115 (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
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: I
Molecule details ›
Chain: I
Length: 18 amino acids
Theoretical weight: 1.97 KDa
Source organism: Oryctolagus cuniculus
Expression system: Not provided
UniProt:
  • Canonical: P61926 (Residues: 6-23; Coverage: 24%)
Gene names: PKIA, PRKACN1

Ligands and Environments

1 bound ligand:
Ligand 504 1 x 504
2 modified residues:
Ligand TPO 1 x TPO
Ligand SEP 1 x SEP

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH3R
Spacegroup: P212121
Unit cell:
a: 73.17Å b: 78.18Å c: 80.26Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.191 0.188 0.253
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

1 review citation

Unraveling the rationale and conducting a comprehensive assessment of KD025 (Belumosudil) as a candidate drug for inhibiting adipogenic differentiation-a systematic review.
Barbalho et al. (2023)
5 other articles

1 mention without citation

Tectorigenin targets PKACĪ± to promote GLUT4 expression in skeletal muscle and improve insulin resistance in vitro and in vivo.
Yao et al. (2023)