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CryoEM structure of beta-2-adrenergic receptor in complex with nucleotide-free Gs heterotrimer (#11 of 20)

Analyse CryoEM structure of beta-2-adrenergic receptor in complex with nucleotide-free… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
8GEA
Type
protein
Length
902 residues
Chains
4
Method
electron microscopy
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
3.5
Source
Homo sapiens
Molecule
Guanine nucleotide-binding protein G(s) subunit alpha isoforms short; Guanine…
UniProt
P63092, P62873, P59768, P07550
Ligands
G1I
Pockets
7 · best druggability 0.81

Structure

electron microscopy · resolution 3.5 · 4 distinct chains · 44% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGuanine nucleotide-binding protein G(s) subunit alpha isoforms shortprotein24046% helix, 18% strandP63092
BGuanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1protein3307% helix, 45% strandP62873
GGuanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2protein5046% helix, 0% strandP59768
RBeta-2 adrenergic receptorprotein28284% helix, 0% strandP07550

Ligands and binding sites

  • G1I · (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol · ligand · chains R

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17820.810.8467empty
23040.710.8436G1I
39820.710.7571empty
41580.450.7521empty
51300.440.7732empty

Interfaces

4 interfaces between chains.

  • B–G · 1988 Ų buried · 13 hydrogen bonds · protein-protein
  • A–B · 1240 Ų buried · 6 hydrogen bonds · protein-protein
  • A–R · 1131 Ų buried · 6 hydrogen bonds · protein-protein
  • B–R · 73 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • P62873 · 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 1.00
  • P07550 · AlphaFold monomer V2.0 prediction for beta-2 adrenergic receptor (P07550) · a predicted model of the same protein · chain R against A, TM-score 0.95
  • P59768 · 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 0.89
  • P63092 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(S) subunit… · a predicted model of the same protein · chain A against A, TM-score 0.85

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