MolNFT v1 · #171768 · protein
Structure of M1-star-T4L in complex with HTL0009936 at 2.35A
6ZG4 · Muscarinic acetylcholine receptor M1,ENDOLYSIN,MUSCARINIC…: “Structure of M1-star-T4L in complex with HTL0009936 at 2.35A”. X-ray diffraction, 3 ligands (OLA, QK8, PO4), 4 pockets (best druggability 0.77). MolNFT v1 #171768 on…
- PDB
- 6ZG4
- Type
- protein
- Length
- 446 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Muscarinic acetylcholine receptor M1,ENDOLYSIN,MUSCARINIC acetylcholine receptor M1
- EC
- 3.2.1.17
- UniProt
- P11229, P00720
- Ligands
- OLA, QK8, PO4
- Pockets
- 4 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 76% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Muscarinic acetylcholine receptor M1,ENDOLYSIN,MUSCARINIC acetylcholine receptor M1 (EC 3.2.1.17) | protein | 446 | 76% helix, 3% strand | P11229, P00720 |
Ligands and binding sites
- OLA · Oleic acid · ligand · 11 copies · chains A
- QK8 · Ethyl (4~{S})-4-[4-[(1-methylcyclobutyl) carbamoyl]piperidin-1-yl]azepane-1-carboxylate · ligand · chains A
- PO4 · Phosphate ion · ion · 3 copies · chains A
- PGE · Triethylene glycol · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 573 | 0.77 | 0.83 | 55 | QK8, PGE |
| 2 | 587 | 0.73 | 0.80 | 56 | PO4 |
| 3 | 145 | 0.43 | 0.75 | 23 | empty |
| 4 | 111 | 0.37 | 0.74 | 18 | OLA |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6ZG4 · Structure of M1-StaR-T4L in complex with HTL0009936 at 2.35A · the same entry in another collection · chain A against A, TM-score 1.00
- P11229 · AlphaFold monomer V2.0 prediction for muscarinic acetylcholine receptor M1 (P11229) · 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 P11229
- Every structure of UniProt P00720
- Elsewhere: RCSB PDB 6ZG4 · PDBe 6ZG4 · UniProt P11229 · UniProt P00720
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