MolNFT v1 · #100211 · protein
Structure of active human M2 muscarinic acetylcholine receptor bound to the agonist iperoxo
4MQS · Muscarinic acetylcholine receptor M2: “Structure of active human M2 muscarinic acetylcholine receptor bound to the agonist iperoxo”. X-ray diffraction, 1 ligand (IXO), 4 pockets (best druggability 0.76). MolNFT v1 #100211 on…
- PDB
- 4MQS
- Type
- protein
- Length
- 398 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Muscarinic acetylcholine receptor M2; Nanobody 9-8
- UniProt
- P08172
- Ligands
- IXO
- Pockets
- 4 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 57% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Muscarinic acetylcholine receptor M2 | protein | 277 | 79% helix, 0% strand | P08172 |
| B | Nanobody 9-8 | protein | 121 | 7% helix, 50% 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 A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 73 | 0.76 | 0.99 | 17 | IXO |
| 2 | 392 | 0.70 | 0.82 | 37 | empty |
| 3 | 196 | 0.52 | 0.77 | 29 | empty |
| 4 | 68 | 0.37 | 0.78 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 844 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 4MQS · Structure of active human M2 muscarinic acetylcholine receptor bound to the agonist… · the same entry in another collection · chain A against A, TM-score 1.00
- 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 0.92
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
- Elsewhere: RCSB PDB 4MQS · PDBe 4MQS · UniProt P08172
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