MolNFT v1 · #141818 · protein
Crystal structure of rationally thermostabilized M2 muscarinic acetylcholine receptor bound with qnb
5ZK3 · Muscarinic acetylcholine receptor M2,APO-cytochrome B562…: “Crystal structure of rationally thermostabilized M2 muscarinic acetylcholine receptor bound with qnb”. X-ray diffraction, 1 ligand (QNB), 2 pockets (best druggability…
- PDB
- 5ZK3
- Type
- protein
- Length
- 380 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
- QNB
- Pockets
- 2 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 81% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Muscarinic acetylcholine receptor M2,APO-cytochrome B562, muscarinic acetylcholine receptor M2 | protein | 380 | 81% helix, 0% strand | P08172 |
Ligands and binding sites
- QNB · (3R)-1-azabicyclo[2.2.2]oct-3-yl hydroxy(diphenyl) acetate · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 415 | 0.75 | 0.85 | 45 | QNB |
| 2 | 136 | 0.53 | 0.81 | 22 | empty |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 5ZK3 · 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 5ZK3 · PDBe 5ZK3 · UniProt P08172
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