› 5ukl

X-ray diffraction
2.15Å resolution

Human GRK2 in complex with Gbetagamma subunits and CCG222886 (14bd)

Released:
DOI: 10.2210/pdb5ukl/pdb
PDB entry 5ukl coloured by chain, front view.
PDB entry 5ukl coloured by chain, side view.
PDB entry 5ukl coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-Based Design of Highly Selective and Potent G Protein-Coupled Receptor Kinase 2 Inhibitors Based on Paroxetine.
Waldschmidt HV, Homan KT, Cato MC, Cruz-Rodríguez O, Cannavo A, Wilson MW, Song J, Cheung JY, Koch WJ, Tesmer JJ, Larsen SD
J Med Chem 60 3052-3069 (2017)
PMID: 28323425

Function and Biology Details

Reaction catalysed: 
ATP + [beta-adrenergic receptor] = ADP + [beta-adrenergic receptor] phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
PDBe Complex ID:
PDB-CPX-150374 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Beta-adrenergic receptor kinase 1 Chain: A
Molecule details ›
Chain: A
Length: 642 amino acids
Theoretical weight: 74.8 KDa
Source organism: Homo sapiens
Expression system: Trichoplusia ni
UniProt:
  • Canonical: P25098 (Residues: 30-671; Coverage: 93%)
Gene names: ADRBK1, BARK, BARK1, GRK2
Sequence domains:
Structure domains:
Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 Chain: B
Molecule details ›
Chain: B
Length: 339 amino acids
Theoretical weight: 37.29 KDa
Source organism: Homo sapiens
Expression system: Trichoplusia ni
UniProt:
  • Canonical: P62873 (Residues: 2-340; Coverage: 100%)
Gene name: GNB1
Sequence domains: WD domain, G-beta repeat
Structure domains: YVTN repeat-like/Quinoprotein amine dehydrogenase
Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 Chain: G
Molecule details ›
Chain: G
Length: 62 amino acids
Theoretical weight: 6.95 KDa
Source organism: Homo sapiens
Expression system: Trichoplusia ni
UniProt:
  • Canonical: P59768 (Residues: 8-69; Coverage: 87%)
Gene name: GNG2
Sequence domains: GGL domain
Structure domains: Transducin (heterotrimeric G protein), gamma chain

Ligands and Environments

2 bound ligands:
Ligand MG 1 x MG
Ligand SIX 1 x SIX
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: C2
Unit cell:
a: 194.255Å b: 71.429Å c: 111.259Å
α: 90° β: 110.51° γ: 90°
R-values:
R R work R free
0.184 0.182 0.228
Expression system: Trichoplusia ni

Quick links

Citations

7 review citations

New Insights in Cardiac β-Adrenergic Signaling During Heart Failure and Aging.
de Lucia et al. (2018)
6 more

3 mentions without citation

Structural Determinants Influencing the Potency and Selectivity of Indazole-Paroxetine Hybrid G Protein-Coupled Receptor Kinase 2 Inhibitors.
Bouley et al. (2017)
2 more