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MolNFT v2 · #195156 · protein

Cryo-EM structure of ACh-bound M2R-Go signaling complex in S1 state

7T8X · Muscarinic acetylcholine receptor M2,muscarinic…: “Cryo-EM structure of ACh-bound M2R-Go signaling complex in S1 state”. Electron microscopy at 3.21, 1 ligand (ACH), 10 pockets (best druggability 0.83). MolNFT v2 #195156 on…

PDB
7T8X
Type
protein
Length
1,126 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
3.21
Source
Homo sapiens; Mus musculus
Molecule
Muscarinic acetylcholine receptor M2,muscarinic acetylcholine receptor M2 chimera…
UniProt
P08172, P09471, P62873, P59768
Ligands
ACH
Pockets
10 · best druggability 0.83

Structure

electron microscopy · resolution 3.21 · 5 distinct chains · 33% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMuscarinic acetylcholine receptor M2,muscarinic acetylcholine receptor M2 chimeraprotein27778% helix, 0% strandP08172
BGuanine nucleotide-binding protein G(o) subunit alphaprotein21942% helix, 16% strandP09471
CGuanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1protein3388% helix, 46% strandP62873
DGuanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2protein5650% helix, 0% strandP59768
EAntibody fragmentprotein2363% helix, 44% strand—

Ligands and binding sites

  • ACH · Acetylcholine · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18780.830.8563empty
21200.790.9720ACH
311620.710.75103empty
45290.680.7876empty
51520.580.8329empty

Interfaces

6 interfaces between chains.

  • C–D · 2137 Ų buried · 12 hydrogen bonds · protein-protein
  • B–C · 1107 Ų buried · 7 hydrogen bonds · protein-protein
  • A–B · 1047 Ų buried · 3 hydrogen bonds · protein-protein
  • B–E · 520 Ų buried · 7 hydrogen bonds · protein-protein
  • C–E · 408 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 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 C against A, TM-score 0.99
  • P08172 · AlphaFold monomer V2.0 prediction for muscarinic acetylcholine receptor M2 (P08172) · a predicted model of the same protein · chain A against A, TM-score 0.93
  • 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 D against A, TM-score 0.88
  • P09471 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(O) subunit… · a predicted model of the same protein · chain B against A, TM-score 0.77

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