› 5vib

X-ray diffraction
2.37Å resolution

Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitors

Released:
DOI: 10.2210/pdb5vib/pdb
PDB entry 5vib coloured by chain, front view.
PDB entry 5vib coloured by chain, side view.
PDB entry 5vib coloured by chain, top view.
Source organism: Bos taurus
Primary publication:
Design of Aminobenzothiazole Inhibitors of Rho Kinases 1 and 2 by Using Protein Kinase A as a Structure Surrogate.
Judge RA, Vasudevan A, Scott VE, Simler GH, Pratt SD, Namovic MT, Putman CB, Aguirre A, Stoll VS, Mamo M, Swann SI, Cassar SC, Faltynek CR, Kage KL, Boyce-Rustay JM, Hobson AD
Chembiochem 19 613-621 (2018)
PMID: 29314498

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-132597 (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: 40.76 KDa
Source organism: Bos taurus
Expression system: Escherichia coli
UniProt:
  • Canonical: P00517 (Residues: 1-351; Coverage: 100%)
Gene name: PRKACA
Sequence domains: Protein kinase domain
Structure domains:
cAMP-dependent protein kinase inhibitor alpha Chain: B
Molecule details ›
Chain: B
Length: 18 amino acids
Theoretical weight: 1.97 KDa
Source organism: Bos taurus
Expression system: Not provided
UniProt:
  • Canonical: Q3SX13 (Residues: 6-23; Coverage: 24%)
Gene name: PKIA

Ligands and Environments

1 bound ligand:
Ligand 9D1 1 x 9D1
1 modified residue:
Ligand TPO 1 x TPO

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-BM
Spacegroup: P212121
Unit cell:
a: 69.857Å b: 72.96Å c: 77.348Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.215 0.212 0.276
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

1 review citation

Recent Advances in Pain Management: Relevant Protein Kinases and Their Inhibitors.
Giraud et al. (2021)
1 other article