Brand  (β version)

color scheme of protein:

hetatm:

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information
centroid:
interaction residue:

chain: Hide other chain(s)

Ligands
Code Name Link
FF1 (4~{S})-4-[3-[2-(2,6-dimethylphenyl)ethylcarbamoyl]-4-fluoranyl-phenyl]-~{N}-(1~{H}-indazol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-pyrimidine-5-carboxamide
MG Magnesium ion
Code : 5HE3
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Bovine GRK2 in complex with Gbetagamma subunits and CCG224411
Release Data : 2016-05-11
Compound :
mol_id molecule chains synonym
1 Beta-adrenergic receptor kinase 1 A Beta-ARK-1, G-protein-coupled receptor kinase 2
ec: 2.7.11.15
fragment: UNP residues 30-670
mol_id molecule chains synonym
2 Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 B Transducin beta chain 1
mol_id molecule chains synonym
3 Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 G G gamma-I
Source :
mol_id organism_scientific organism_common expression_system
1 Bos taurus  (taxid:9913) Bovine Trichoplusia ni  (taxid:7111)
gene: ADRBK1, GRK2
expression_system_common: Cabbage looper
expression_system_vector_type: baculovirus
expression_system_plasmid: pFastBacDual
mol_id organism_scientific organism_common expression_system
2 Homo sapiens  (taxid:9606) Human Trichoplusia ni  (taxid:7111)
gene: GNB1
expression_system_common: Cabbage looper
expression_system_vector_type: baculovirus
expression_system_plasmid: pFastBacDual
mol_id organism_scientific organism_common expression_system
3 Homo sapiens  (taxid:9606) Human Trichoplusia ni  (taxid:7111)
gene: GNG2
expression_system_common: Cabbage looper
expression_system_vector_type: baculovirus
expression_system_plasmid: pFastBacDual
Authors : Cato, M.C., Tesmer, J.J.G.
Keywords : RGS, kinase, PH, WD-40, inhibitor complex, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.7400 Å )
Citation :

Structure-Based Design, Synthesis, and Biological Evaluation of Highly Selective and Potent G Protein-Coupled Receptor Kinase 2 Inhibitors.

Waldschmidt, H.V.,Homan, K.T.,Cruz-Rodriguez, O.  et al.
(2016)  J.Med.Chem.  59 : 3793 - 3807

PubMed: 27050625
DOI: 10.1021/acs.jmedchem.5b02000

Chain : A
UniProt : P21146 (ARBK1_BOVIN)
Reaction : ATP + [beta-adrenergic receptor] = ADP + [beta-adrenergic receptor] phosphate.
Chain : B
UniProt : P62873 (GBB1_HUMAN)
Reaction : -
Chain : G
UniProt : P59768 (GBG2_HUMAN)
Reaction : -