3zo4

X-ray diffraction
1.65Å resolution

The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors

Released:

Function and Biology Details

Structure analysis Details

Assembly composition:
Non-polymer only dimer (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: 40.84 KDa
Source organism: Bos taurus
Expression system: Escherichia coli BL21(DE3)
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: I
Molecule details ›
Chain: I
Length: 20 amino acids
Theoretical weight: 2.23 KDa
Source organism: Bos taurus
Expression system: Not provided
UniProt:
  • Canonical: Q3SX13 (Residues: 6-25; Coverage: 26%)
Gene name: PKIA

Ligands and Environments


2 modified residues:

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P212121
Unit cell:
a: 73.44Å b: 75.73Å c: 80.37Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.17 0.168 0.195
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided