› 5mhi

X-ray diffraction
1.49Å resolution

cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule (5-chloro-2-methoxyphenyl)methanamine

Released:
DOI: 10.2210/pdb5mhi/pdb
PDB entry 5mhi coloured by chain, front view.
PDB entry 5mhi coloured by chain, side view.
PDB entry 5mhi coloured by chain, top view.
Source organism: Cricetulus griseus
Entry authors: Siefker C, 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-100335 (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: 41.11 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 Chain: B
Molecule details ›
Chain: B
Length: 19 amino acids
Theoretical weight: 1.99 KDa
Source organism: Cricetulus griseus
Expression system: Not provided
UniProt:
  • Canonical: A0A061IH64 (Residues: 12-30; Coverage: 25%)
Gene names: H671_2g6263, Pkia

Ligands and Environments

3 bound ligands:
Ligand MPD 1 x MPD
Ligand 7N9 2 x 7N9
Ligand DMS 1 x DMS
2 modified residues:
Ligand SEP 2 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: 58.341Å b: 72.594Å c: 108.646Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.148 0.147 0.165
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

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