MolNFT v1 · #107145 · protein
Structure of the M3 muscarinic acetylcholine receptor bound to the antagonist tiotropium crystallized with disulfide-stabilized T4 lysozyme (DST4L)
4U14 · Muscarinic acetylcholine receptor M3,ENDOLYSIN,MUSCARINIC…: “Structure of the M3 muscarinic acetylcholine receptor bound to the antagonist tiotropium crystallized with…”. X-ray diffraction, 1 ligand (0HK), 6 pockets (best…
- PDB
- 4U14
- Type
- protein
- Length
- 436 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Muscarinic acetylcholine receptor M3,ENDOLYSIN,MUSCARINIC acetylcholine receptor M3
- EC
- 3.2.1.17
- UniProt
- P08483, P00720
- Ligands
- 0HK
- Pockets
- 6 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 69% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Muscarinic acetylcholine receptor M3,ENDOLYSIN,MUSCARINIC acetylcholine receptor M3 (EC 3.2.1.17) | protein | 436 | 69% helix, 3% strand | P08483, P00720 |
Ligands and binding sites
- 0HK · (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane · 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 | 501 | 0.78 | 0.85 | 40 | 0HK |
| 2 | 206 | 0.54 | 0.78 | 25 | empty |
| 3 | 87 | 0.51 | 0.83 | 23 | empty |
| 4 | 82 | 0.43 | 0.79 | 18 | empty |
| 5 | 110 | 0.39 | 0.75 | 22 | empty |
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 4U14 · Structure of the M3 muscarinic acetylcholine receptor bound to the antagonist tiotropium… · the same entry in another collection · chain A against A, TM-score 1.00
- P08483 · AlphaFold monomer V2.0 prediction for muscarinic acetylcholine receptor M3 (P08483) · a predicted model of the same protein · chain A against A, TM-score 0.65
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 P08483
- Every structure of UniProt P00720
- Elsewhere: RCSB PDB 4U14 · PDBe 4U14 · UniProt P08483 · UniProt P00720
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