› 3ovv

X-ray diffraction
1.58Å resolution

Human cAMP-dependent protein kinase in complex with an inhibitor

Released:
DOI: 10.2210/pdb3ovv/pdb
PDB entry 3ovv coloured by chain, front view.
PDB entry 3ovv coloured by chain, side view.
PDB entry 3ovv coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Koester H, 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-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
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 1SB 1 x 1SB
Ligand BUD 1 x BUD
2 modified residues:
Ligand TPO 1 x TPO
Ligand SEP 1 x SEP

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: P212121
Unit cell:
a: 75.76Å b: 73.22Å c: 79.95Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.186 0.184 0.232
Expression systems:
  • Escherichia coli
  • Not provided

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