› 3ag9

X-ray diffraction
2Å resolution

Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1012

Released:
DOI: 10.2210/pdb3ag9/pdb
PDB entry 3ag9 coloured by chain, front view.
PDB entry 3ag9 coloured by chain, side view.
PDB entry 3ag9 coloured by chain, top view.
Source organism: Bos taurus
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

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-132589 (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: 40.84 KDa
Source organism: Bos taurus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P00517 (Residues: 1-351; Coverage: 100%)
Gene name: PRKACA
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand A02 1 x A02
2 modified residues:
Ligand TPO 2 x TPO
Ligand SEP 2 x SEP

Experiments and Validation Details

Entry percentile scores
X-ray source: MPG/DESY, HAMBURG BEAMLINE BW6
Spacegroup: P212121
Unit cell:
a: 74.68Å b: 88.04Å c: 115.07Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.23 0.201 0.246
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

12 citation in other articles

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

3 mentions without citation

Diversity-guided Lamarckian random drift particle swarm optimization for flexible ligand docking.
Li et al. (2020)
2 more