6KQI
Structure of an allosteric modulator bound to the CB1 cannabinoid receptor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Cannabinoid receptor 1,GlgA glycogen synthase,Cannabinoid receptor 1 | polymer | 492 | 55545.5 | 1 | UniProt (P21554) UniProt (Q9V2J8) Pfam (PF00001) | Homo sapiens (Human) | CB1,CANN6,Glycogen synthase |
| 2 | B (A) | 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol | non-polymer | 376.6 | 1 | Chemie (9GF) PubChem (104895) PubChem (3086156) PubChem (5311056) PubChem (22822576) PubChem (23815438) PubChem (44305430) PubChem (44368366) PubChem (4412255) PubChem (6604782) PubChem (56611404) PubChem (59386632) PubChem (67576480) PubChem (89973038) PubChem (92296518) PubChem (118119725) PubChem (129156808) PubChem (134154710) PubChem (142244874) PubChem (149393438) | |||
| 3 | C (A) | 5-chloro-3-ethyl-N-{2-[4-(piperidin-1-yl)phenyl]ethyl}-1H-indole-2-carboxamide | non-polymer | 410.0 | 1 | Chemie (9GL) | |||
| 4 | D, E, F, G (A) | OLEIC ACID | non-polymer | 282.5 | 4 | Chemie (OLA) PubChem (965) PubChem (445639) PubChem (637517) | |||
| 5 | H, I (A) | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate | non-polymer | 356.5 | 2 | Chemie (OLC) PubChem (5283468) PubChem (5364833) PubChem (11451146) PubChem (12178130) PubChem (25021708) PubChem (46840179) PubChem (54294270) PubChem (33022) PubChem (54294271) | |||
| 6 | J, K (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 2 | Chemie (PEG) PubChem (8117) |
Sequence modifications
A: 94 - 301 (UniProt: P21554)
A: 1001 - 1196 (UniProt: Q9V2J8)
A: 333 - 413 (UniProt: P21554)
| PDB | External Database | Details |
|---|---|---|
| Gly 93 | - | expression tag |
| Lys 203 | Ser 203 | engineered mutation |
| Ala 210 | Thr 210 | engineered mutation |
| Lys 273 | Glu 273 | engineered mutation |
| Val 283 | Thr 283 | engineered mutation |
A: 333 - 413 (UniProt: P21554)
| PDB | External Database | Details |
|---|---|---|
| Glu 340 | Arg 340 | engineered mutation |
| Glu 414 | - | expression tag |
| Asn 415 | - | expression tag |
| Leu 416 | - | expression tag |
| Tyr 417 | - | expression tag |
| Phe 418 | - | expression tag |
| Gln 419 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 55545.5 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 2841.7 | |
| All* | Total formula weight | 58387.2 |
