› 5ot3

X-ray diffraction
2.04Å resolution

Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp191 and RKp117

Released:
DOI: 10.2210/pdb5ot3/pdb
PDB entry 5ot3 coloured by chain, front view.
PDB entry 5ot3 coloured by chain, side view.
PDB entry 5ot3 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(DE3)
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: 1.99 KDa
Source organism: Cricetulus griseus
Expression system: Not provided
UniProt:
  • Canonical: G3HK48 (Residues: 6-23; Coverage: 8%)
Gene name: I79_011066

Ligands and Environments

4 bound ligands:
Ligand 9LQ 1 x 9LQ
Ligand MPD 1 x MPD
Ligand RIP 1 x RIP
Ligand CL 1 x CL
2 modified residues:
Ligand SEP 3 x SEP
Ligand TPO 1 x TPO

Experiments and Validation Details

Entry percentile scores
X-ray source: PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Spacegroup: P212121
Unit cell:
a: 69.21Å b: 72.752Å c: 76.925Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.186 0.184 0.228
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

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