› 1q8u

X-ray diffraction
1.9Å resolution

The Catalytic Subunit of cAMP-dependent Protein Kinase in Complex with Rho-kinase Inhibitor H-1152P

Released:
DOI: 10.2210/pdb1q8u/pdb
PDB entry 1q8u coloured by chain, front view.
PDB entry 1q8u coloured by chain, side view.
PDB entry 1q8u coloured by chain, top view.
Source organisms:
Primary publication:
Protein kinase A in complex with Rho-kinase inhibitors Y-27632, Fasudil, and H-1152P: structural basis of selectivity.
Breitenlechner C, Gassel M, Hidaka H, Kinzel V, Huber R, Engh RA, Bossemeyer D
Structure 11 1595-607 (2003)
PMID: 14656443

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: A
Molecule details ›
Chain: A
Length: 350 amino acids
Theoretical weight: 40.79 KDa
Source organism: Bos taurus
Expression system: Escherichia coli BL21(DE3)
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: B
Molecule details ›
Chain: B
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

2 bound ligands:
Ligand H52 2 x H52
Ligand MG8 1 x MG8
2 modified residues:
Ligand SEP 2 x SEP
Ligand TPO 1 x TPO

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P212121
Unit cell:
a: 74.22Å b: 76.422Å c: 81.79Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.173 0.171 0.206
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

21 review citations

Rho kinase, a promising drug target for neurological disorders.
Mueller et al. (2005)
20 more

3 mentions without citation

Binding of protein kinase inhibitors to synapsin I inferred from pair-wise binding site similarity measurements.
Defranchi et al. (2010)
2 more