Research workbench
Structure of the M5 muscarinic acetylcholine receptor (M5-T4L) bound to tiotropium
Analyse Structure of the M5 muscarinic acetylcholine receptor (M5-T4L) bound to… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6OL9
- Type
- protein
- Length
- 416 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.541
- Source
- Enterobacteria phage T4; Homo sapiens
- Molecule
- Muscarinic acetylcholine receptor M5, T4 Lysozyme fusion
- EC
- 3.2.1.17
- UniProt
- P08912, D9IEF7
- Ligands
- OLA, 0HK
- Pockets
- 4 · best druggability 0.80
Structure
x-ray diffraction · resolution 2.541 · 1 distinct chain · 77% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Muscarinic acetylcholine receptor M5, T4 Lysozyme fusion (EC 3.2.1.17) | protein | 416 | 77% helix, 3% strand | P08912, D9IEF7 |
Ligands and binding sites
- OLA · Oleic acid · ligand · 2 copies · chains A
- 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
- P33 · 3,6,9,12,15,18-hexaoxaicosane-1,20-diol · additive · chains A
- OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 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 | 489 | 0.80 | 0.87 | 49 | 0HK, P33 |
| 2 | 222 | 0.57 | 0.79 | 35 | empty |
| 3 | 199 | 0.54 | 0.78 | 27 | empty |
| 4 | 86 | 0.38 | 0.76 | 20 | empty |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6OL9 · Structure of the M5 muscarinic acetylcholine receptor (M5-T4L) bound to tiotropium · the same entry in another collection · chain A against A, TM-score 1.00
- P08912 · AlphaFold monomer V2.0 prediction for muscarinic acetylcholine receptor M5 (P08912) · a predicted model of the same protein · chain A against A, TM-score 0.72
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 P08912
- Every structure of UniProt D9IEF7
- Elsewhere: RCSB PDB 6OL9 · PDBe 6OL9 · UniProt P08912 · UniProt D9IEF7
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