› 3agl

X-ray diffraction
2.1Å resolution

Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1039

Released:
DOI: 10.2210/pdb3agl/pdb
PDB entry 3agl coloured by chain, front view.
PDB entry 3agl coloured by chain, side view.
PDB entry 3agl coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Diversity of bisubstrate binding modes of adenosine analogue-oligoarginine conjugates in protein kinase a and implications for protein substrate interactions.
Pflug A, Rogozina J, Lavogina D, Enkvist E, Uri A, Engh RA, Bossemeyer D
J Mol Biol 403 66-77 (2010)
PMID: 20732331

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:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-148112 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
cAMP-dependent protein kinase catalytic subunit alpha Chains: A, B
Molecule details ›
Chains: A, B
Length: 351 amino acids
Theoretical weight: 40.89 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P17612 (Residues: 1-351; Coverage: 100%)
Gene names: PKACA, PRKACA
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand A03 2 x A03
2 modified residues:
Ligand SEP 4 x SEP
Ligand TPO 2 x TPO

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P212121
Unit cell:
a: 73.18Å b: 105.17Å c: 106.47Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.2 0.198 0.237
Expression system: Escherichia coli BL21(DE3)

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Citations

11 citation in other articles

Protein-induced long lifetime luminescence of nonmetal probes.
Enkvist et al. (2011)
10 more

1 mention without citation

Conformational transition paths harbor structures useful for aiding drug discovery and understanding enzymatic mechanisms in protein kinases.
Wong CF. (2016)