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Bovine GRK2 in complex with gbetagamma subunits

Analyse Bovine GRK2 in complex with gbetagamma subunits in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3PSC
Type
protein
Length
1,014 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-adrenergic receptor kinase 1; Guanine nucleotide-binding protein G(I)/G(S)/G(T)…
EC
2.7.11.15
UniProt
P21146, P62871, P63212
Pockets
13 · best druggability 0.77

Structure

x-ray diffraction · 3 distinct chains · 34% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABeta-adrenergic receptor kinase 1 (EC 2.7.11.15)protein61446% helix, 16% strandP21146
BGuanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1protein3397% helix, 47% strandP62871
GGuanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2protein6157% helix, 0% strandP63212

Pockets

13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15640.770.8449empty
22690.610.8037empty
33900.580.7536empty
4650.550.8817empty
52380.520.7633empty

Interfaces

2 interfaces between chains.

  • B–G · 2238 Ų buried · 22 hydrogen bonds · protein-protein
  • A–B · 1134 Ų buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (nonstandard).

Compared structures

  • 3PSC · Bovine GRK2 in complex with Gbetagamma subunits · the same entry in another collection · chain A against A, TM-score 1.00
  • P62871 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(I)/G(S)/G(T)… · a predicted model of the same protein · chain B against A, TM-score 0.99
  • P21146 · AlphaFold monomer V2.0 prediction for beta-adrenergic receptor kinase 1 (P21146) · a predicted model of the same protein · chain A against A, TM-score 0.99
  • P63212 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(I)/G(S)/G(O)… · a predicted model of the same protein · chain G against A, TM-score 0.63

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