› 3mvj

X-ray diffraction
2.49Å resolution

Human cyclic AMP-dependent protein kinase PKA inhibitor complex

Released:
DOI: 10.2210/pdb3mvj/pdb
PDB entry 3mvj coloured by chain, front view.
PDB entry 3mvj coloured by chain, side view.
PDB entry 3mvj coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Design of selective, ATP-competitive inhibitors of Akt.
Freeman-Cook KD, Autry C, Borzillo G, Gordon D, Barbacci-Tobin E, Bernardo V, Briere D, Clark T, Corbett M, Jakubczak J, Kakar S, Knauth E, Lippa B, Luzzio MJ, Mansour M, Martinelli G, Marx M, Nelson K, Pandit J, Rajamohan F, Robinson S, Subramanyam C, Wei L, Wythes M, Morris J
J Med Chem 53 4615-22 (2010)
PMID: 20481595

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-148114 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
cAMP-dependent protein kinase catalytic subunit alpha Chains: A, B, E
Molecule details ›
Chains: A, B, E
Length: 371 amino acids
Theoretical weight: 42.98 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P17612 (Residues: 1-351; Coverage: 100%)
Gene names: PKACA, PRKACA
Sequence domains: Protein kinase domain
Structure domains:
cAMP-dependent protein kinase inhibitor alpha Chains: I, J, K
Molecule details ›
Chains: I, J, K
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 XFE 2 x XFE
2 modified residues:
Ligand TPO 3 x TPO
Ligand SEP 3 x SEP

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E DW
Spacegroup: P212121
Unit cell:
a: 61.163Å b: 120.828Å c: 162.415Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.217 0.212 0.304
Expression systems:
  • Spodoptera frugiperda
  • Not provided

Quick links

Citations

6 review citations

Akt inhibitors in cancer treatment: The long journey from drug discovery to clinical use (Review).
Nitulescu et al. (2016)
5 more

5 mentions without citation

Interpreting linear support vector machine models with heat map molecule coloring.
Rosenbaum et al. (2011)
4 more