› 6i2a

X-ray diffraction
1.75Å resolution

Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp153 and Fasudil

Released:
DOI: 10.2210/pdb6i2a/pdb
PDB entry 6i2a coloured by chain, front view.
PDB entry 6i2a coloured by chain, side view.
PDB entry 6i2a coloured by chain, top view.
Source organism: Cricetulus griseus
Primary publication:
Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Mueller JM, Kirschner R, Geyer A, Klebe G
Acs Omega (2019)

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-124343 (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: 41.19 KDa
Source organism: Cricetulus griseus
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'
UniProt:
  • Canonical: P25321 (Residues: 1-351; Coverage: 100%)
Gene name: PRKACA
Sequence domains: Protein kinase domain
Structure domains:
cAMP-dependent protein kinase inhibitor alpha Chain: D
Molecule details ›
Chain: D
Length: 18 amino acids
Theoretical weight: 1.97 KDa
Source organism: Cricetulus griseus
Expression system: Not provided
UniProt:
  • Canonical: G3HK48 (Residues: 6-23; Coverage: 8%)
Gene name: I79_011066

Ligands and Environments

2 bound ligands:
Ligand M77 1 x M77
Ligand RIP 1 x RIP
2 modified residues:
Ligand SEP 3 x SEP
Ligand TPO 1 x TPO

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: P212121
Unit cell:
a: 58.959Å b: 73.886Å c: 108.204Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.176 0.174 0.207
Expression systems:
  • Escherichia coli 'BL21-Gold(DE3)pLysS AG'
  • Not provided

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