Research workbench
M3-MT4L receptor bound to tiotropium
Analyse M3-MT4L receptor bound to tiotropium in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4U15
- Type
- protein
- Length
- 783 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Muscarinic acetylcholine receptor M3,LYSOZYME,MUSCARINIC acetylcholine receptor M3
- EC
- 3.2.1.17
- UniProt
- P08483, D9IEF7
- Ligands
- 0HK
- Pockets
- 7 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 77% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Muscarinic acetylcholine receptor M3,LYSOZYME,MUSCARINIC acetylcholine receptor M3 (EC 3.2.1.17) | protein | 391 | 77% helix, 0% strand | P08483, D9IEF7 |
| B | Muscarinic acetylcholine receptor M3,LYSOZYME,MUSCARINIC acetylcholine receptor M3 (EC 3.2.1.17) | protein | 392 | 77% helix, 0% strand | P08483, D9IEF7 |
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 · 2 copies · chains A, B
- P6G · Hexaethylene glycol · additive · 4 copies · chains A, B
- TAR · D(-)-tartaric acid · additive · 4 copies · chains A, B
- OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1120 | 0.87 | 0.88 | 80 | empty |
| 2 | 503 | 0.81 | 0.87 | 46 | 0HK, P6G |
| 3 | 486 | 0.79 | 0.86 | 40 | 0HK |
| 4 | 381 | 0.64 | 0.79 | 54 | TAR |
| 5 | 325 | 0.59 | 0.78 | 43 | empty |
Interfaces
1 interface between chains.
- A–B · 1161 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
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 D9IEF7
- Elsewhere: RCSB PDB 4U15 · PDBe 4U15 · UniProt P08483 · UniProt D9IEF7
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