MolNFT v1 · #171764 · protein
Structure of M1-star-T4L in complex with 77-lh-28-1 at 2.17A
6ZFZ · Muscarinic acetylcholine receptor M1,ENDOLYSIN,MUSCARINIC…: “Structure of M1-star-T4L in complex with 77-lh-28-1 at 2.17A”. X-ray diffraction, 3 ligands (OLA, QJT, PO4), 5 pockets (best druggability 0.77). MolNFT v1 #171764 on…
- PDB
- 6ZFZ
- 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, QJT, PO4
- Pockets
- 5 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 75% 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 | 75% helix, 3% strand | P11229, P00720 |
Ligands and binding sites
- OLA · Oleic acid · ligand · 8 copies · chains A
- QJT · 1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one · ligand · chains A
- PO4 · Phosphate ion · ion · chains A
- PGE · Triethylene glycol · additive · 2 copies · chains A
- OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · chains A
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 511 | 0.77 | 0.84 | 43 | QJT, PGE |
| 2 | 688 | 0.76 | 0.81 | 51 | empty |
| 3 | 135 | 0.46 | 0.78 | 20 | PO4 |
| 4 | 65 | 0.37 | 0.78 | 17 | OLA |
| 5 | 122 | 0.36 | 0.73 | 18 | empty |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6ZFZ · Structure of M1-StaR-T4L in complex with 77-LH-28-1 at 2.17A · 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 6ZFZ · PDBe 6ZFZ · UniProt P11229 · UniProt P00720
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