› 1yds

X-ray diffraction
2.2Å resolution

Structure of CAMP-dependent protein kinase, alpha-catalytic subunit in complex with H8 protein kinase inhibitor [N-(2-methylamino)ethyl]-5-isoquinolinesulfonamide

Released:
DOI: 10.2210/pdb1yds/pdb
PDB entry 1yds coloured by chain, front view.
PDB entry 1yds coloured by chain, side view.
PDB entry 1yds coloured by chain, top view.
Source organisms:
Primary publication:
Crystal structures of catalytic subunit of cAMP-dependent protein kinase in complex with isoquinolinesulfonyl protein kinase inhibitors H7, H8, and H89. Structural implications for selectivity.
Engh RA, Girod A, Kinzel V, Huber R, Bossemeyer D
J Biol Chem 271 26157-64 (1996)
PMID: 8824261

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132593 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
cAMP-dependent protein kinase catalytic subunit alpha Chain: E
Molecule details ›
Chain: E
Length: 350 amino acids
Theoretical weight: 40.68 KDa
Source organism: Bos taurus
Expression system: Escherichia coli
UniProt:
  • Canonical: P00517 (Residues: 2-351; 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: Rattus norvegicus
Expression system: Not provided
UniProt:
  • Canonical: P63249 (Residues: 6-25; Coverage: 26%)
Gene name: Pkia

Ligands and Environments

1 bound ligand:
Ligand IQS 1 x IQS
2 modified residues:
Ligand TPO 1 x TPO
Ligand SEP 1 x SEP

Experiments and Validation Details

Entry percentile scores
Spacegroup: P212121
Unit cell:
a: 73.38Å b: 76.2Å c: 80.52Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.199 0.199 not available
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

20 review citations

Regulation and functions of Rho-associated kinase.
Amano et al. (2000)
19 more

13 mentions without citation

Solution NMR Spectroscopy for the Study of Enzyme Allostery.
Lisi et al. (2016)
12 more