› 5m0b

X-ray diffraction
1.51Å resolution

Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a short-chained N-(2-aminoethyl)isoquinoline-5-sulfonamide) Fasudil-derivative (Ligand 03)

Released:
DOI: 10.2210/pdb5m0b/pdb
PDB entry 5m0b coloured by chain, front view.
PDB entry 5m0b coloured by chain, side view.
PDB entry 5m0b coloured by chain, top view.
Source organisms:
Entry authors: Wienen-Schmidt B, 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-150425 (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
UniProt:
  • Canonical: P25321 (Residues: 1-351; Coverage: 100%)
Gene name: PRKACA
Sequence domains: Protein kinase domain
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

3 bound ligands:
Ligand IQU 1 x IQU
Ligand MPD 1 x MPD
Ligand MOH 2 x MOH
2 modified residues:
Ligand SEP 2 x SEP
Ligand TPO 1 x TPO

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE BM14
Spacegroup: P212121
Unit cell:
a: 57.945Å b: 71.736Å c: 109.922Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.133 0.132 0.159
Expression systems:
  • Escherichia coli
  • Not provided

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