MolNFT v1 · #159230 · protein
Muscarinic acetylcholine receptor 2-go complex
6OIK · Muscarinic acetylcholine receptor M2,MUSCARINIC…: “Muscarinic acetylcholine receptor 2-go complex”. Electron microscopy, 2 ligands (IXO, 2CU), 9 pockets (best druggability 0.82). MolNFT v1 #159230 on GenesisL1: 3D structure, binding…
- PDB
- 6OIK
- Type
- protein
- Length
- 1,125 residues
- Chains
- 5
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Muscarinic acetylcholine receptor M2,MUSCARINIC acetylcholine receptor M2; Guanine…
- UniProt
- P08172, P09471, P62873, P59768
- Ligands
- IXO, 2CU
- Pockets
- 9 · best druggability 0.82
Structure
electron microscopy · 5 distinct chains · 31% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| R | Muscarinic acetylcholine receptor M2,MUSCARINIC acetylcholine receptor M2 | protein | 278 | 74% helix, 0% strand | P08172 |
| A | Guanine nucleotide-binding protein G(O) subunit alpha | protein | 217 | 39% helix, 17% strand | P09471 |
| B | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | protein | 338 | 6% helix, 44% strand | P62873 |
| G | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 | protein | 56 | 59% helix, 0% strand | P59768 |
| H | Antibody fragment | protein | 236 | 4% helix, 46% strand | — |
Ligands and binding sites
- IXO · 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium · ligand · chains R
- 2CU · 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide · ligand · chains R
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 780 | 0.82 | 0.85 | 64 | empty |
| 2 | 337 | 0.74 | 0.85 | 49 | IXO, 2CU |
| 3 | 857 | 0.69 | 0.75 | 69 | empty |
| 4 | 409 | 0.66 | 0.79 | 67 | empty |
| 5 | 52 | 0.55 | 0.89 | 17 | empty |
Interfaces
6 interfaces between chains.
- B–G · 2022 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 1130 Ų buried · 8 hydrogen bonds · protein-protein
- R–A · 824 Ų buried · 3 hydrogen bonds · protein-protein
- A–H · 531 Ų buried · 2 hydrogen bonds · protein-protein
- B–H · 456 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 6OIK · Muscarinic acetylcholine receptor 2-Go complex · the same entry in another collection · chain H against H, TM-score 1.00
- 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 0.99
- 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 0.93
- P08172 · AlphaFold monomer V2.0 prediction for muscarinic acetylcholine receptor M2 (P08172) · a predicted model of the same protein · chain R against A, TM-score 0.92
- P09471 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(O) subunit… · a predicted model of the same protein · chain A against A, TM-score 0.78
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P08172
- Every structure of UniProt P09471
- Every structure of UniProt P62873
- Every structure of UniProt P59768
- Elsewhere: RCSB PDB 6OIK · PDBe 6OIK · UniProt P08172 · UniProt P09471 · UniProt P62873 · UniProt P59768
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