› 7baq

X-ray diffraction
1.54Å resolution

Crystal structure of the cAMP-dependent protein kinase A cocrystallized with a chiral ligand (S- and E-configuration) and PKI (5-24)

Released:
DOI: 10.2210/pdb7baq/pdb
PDB entry 7baq coloured by chain, front view.
PDB entry 7baq coloured by chain, side view.
PDB entry 7baq coloured by chain, top view.
Source organisms:
Entry authors: Oebbeke M, Heine A, Klebe G

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-150426 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
cAMP-dependent protein kinase catalytic subunit alpha Chain: A
Molecule details ›
Chain: A
Length: 353 amino acids
Theoretical weight: 41.03 KDa
Source organism: Cricetulus griseus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P25321 (Residues: 1-351; Coverage: 100%)
Gene name: PRKACA
Sequence domains: Protein kinase domain
cAMP-dependent protein kinase inhibitor alpha Chain: B
Molecule details ›
Chain: B
Length: 18 amino acids
Theoretical weight: 1.97 KDa
Source organism: Mus musculus
Expression system: Not provided
UniProt:
  • Canonical: P63248 (Residues: 6-23; Coverage: 24%)
Gene name: Pkia

Ligands and Environments

1 bound ligand:
Ligand T82 1 x T82
2 modified residues:
Ligand TPO 1 x TPO
Ligand SEP 1 x SEP

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: P212121
Unit cell:
a: 69.22Å b: 73.334Å c: 77.388Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.178 0.176 0.22
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

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