› 5uuu

X-ray diffraction
2.7Å resolution

Design, Synthesis, and Evaluation of the First Selective and Potent G-protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure

Released:
DOI: 10.2210/pdb5uuu/pdb
PDB entry 5uuu coloured by chain, front view.
PDB entry 5uuu coloured by chain, side view.
PDB entry 5uuu coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Design, Synthesis, and Evaluation of the Highly Selective and Potent G-Protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure.
Okawa T, Aramaki Y, Yamamoto M, Kobayashi T, Fukumoto S, Toyoda Y, Henta T, Hata A, Ikeda S, Kaneko M, Hoffman ID, Sang BC, Zou H, Kawamoto T
J Med Chem 60 6942-6990 (2017)
PMID: 28699740

Function and Biology Details

Reaction catalysed: 
ATP + [beta-adrenergic receptor] = ADP + [beta-adrenergic receptor] phosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-150373 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Beta-adrenergic receptor kinase 1 Chain: A
Molecule details ›
Chain: A
Length: 547 amino acids
Theoretical weight: 63.24 KDa
Source organism: Homo sapiens
Expression system: Baculovirus expression vector pFastBac1-HM
UniProt:
  • Canonical: P25098 (Residues: 23-538; Coverage: 75%)
Gene names: ADRBK1, BARK, BARK1, GRK2
Sequence domains:

Ligands and Environments

3 bound ligands:
Ligand QRW 1 x QRW
Ligand SO4 2 x SO4
Ligand MES 1 x MES
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL14-1
Spacegroup: P3121
Unit cell:
a: 126.18Å b: 126.18Å c: 96.369Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.215 0.213 0.257
Expression system: Baculovirus expression vector pFastBac1-HM

Quick links

Citations

2 review citations

G Protein-Coupled Receptor Kinase 2 (GRK2) as a Potential Therapeutic Target in Cardiovascular and Metabolic Diseases.
Murga et al. (2019)
1 more

1 mention without citation

Structures of rhodopsin in complex with G-protein-coupled receptor kinase 1.
Chen et al. (2021)