MolNFT v1 · #141826 · protein
Crystal structure of rationally thermostabilized M2 muscarinic acetylcholine receptor bound with af-dx 384
5ZKB · Muscarinic acetylcholine receptor M2,APO-cytochrome B562…: “Crystal structure of rationally thermostabilized M2 muscarinic acetylcholine receptor bound with af-dx 384”. X-ray diffraction, 1 ligand (82F), 6 pockets (best druggability…
- PDB
- 5ZKB
- Type
- protein
- Length
- 381 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Muscarinic acetylcholine receptor M2,APO-cytochrome B562, muscarinic acetylcholine…
- UniProt
- P08172
- Ligands
- 82F
- Pockets
- 6 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 80% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Muscarinic acetylcholine receptor M2,APO-cytochrome B562, muscarinic acetylcholine receptor M2 | protein | 381 | 80% helix, 0% strand | P08172 |
Ligands and binding sites
- 82F · N-[2-[(2S)-2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxidanylidene-5H-pyrido[2,3-B][1, 4]benzodiazepine-11-carboxamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 120 | 0.78 | 0.96 | 22 | empty |
| 2 | 584 | 0.77 | 0.83 | 46 | 82F |
| 3 | 198 | 0.55 | 0.79 | 25 | empty |
| 4 | 201 | 0.46 | 0.74 | 28 | empty |
| 5 | 64 | 0.36 | 0.77 | 14 | empty |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 5ZKB · Crystal structure of rationally thermostabilized M2 muscarinic acetylcholine receptor… · 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 0.74
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 5ZKB · PDBe 5ZKB · UniProt P08172
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.