› 1xh8

X-ray diffraction
1.6Å resolution

Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants

Released:
DOI: 10.2210/pdb1xh8/pdb
PDB entry 1xh8 coloured by chain, front view.
PDB entry 1xh8 coloured by chain, side view.
PDB entry 1xh8 coloured by chain, top view.
Source organisms:
Primary publication:
Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants.
Breitenlechner CB, Friebe WG, Brunet E, Werner G, Graul K, Thomas U, Künkele KP, Schäfer W, Gassel M, Bossemeyer D, Huber R, Engh RA, Masjost B
J Med Chem 48 163-70 (2005)
PMID: 15634010

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:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132589 (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: 40.71 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: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: P61925 (Residues: 6-25; Coverage: 26%)
Gene names: PKIA, PRKACN1

Ligands and Environments

1 bound ligand:
Ligand R55 1 x R55
2 modified residues:
Ligand TPO 1 x TPO
Ligand SEP 1 x SEP

Experiments and Validation Details

Entry percentile scores
X-ray source: MPG/DESY, HAMBURG BEAMLINE BW6
Spacegroup: P212121
Unit cell:
a: 70.658Å b: 73.111Å c: 78.15Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.202 0.2 0.236
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

6 review citations

The Akt/PKB pathway: molecular target for cancer drug discovery.
Cheng et al. (2005)
5 more

2 mentions without citation

Protein functional surfaces: global shape matching and local spatial alignments of ligand binding sites.
Binkowski et al. (2008)
1 more