3UUO
The discovery of potent, selectivity, and orally bioavailable pyrozoloquinolines as PDE10 inhibitors for the treatment of Schizophrenia
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | polymer | 337 | 39007.9 | 2 | UniProt (Q9Y233) | Homo sapiens (human) | |
| 2 | C, G (A, B) | 6-methoxy-3,8-dimethyl-4-(piperazin-1-yl)-1H-pyrazolo[3,4-b]quinoline | non-polymer | 311.4 | 2 | Chemie (0CV) | |||
| 3 | D, H (A, B) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 4 | E, I (A, B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 5 | F, J (A, B) | PHOSPHATE ION | non-polymer | 95.0 | 2 | Chemie (PO4) | |||
| 6 | K, L (A, B) | water | water | 18.0 | 106 | Chemie (HOH) |
Sequence modifications
A, B: 439 - 770 (UniProt: Q9Y233)
| PDB | External Database | Details |
|---|---|---|
| Gly 434 | - | expression tag |
| Ser 435 | - | expression tag |
| His 436 | - | expression tag |
| Met 437 | - | expression tag |
| Gly 438 | - | expression tag |
| Ser 446 | - | expression tag |
| His 447 | - | expression tag |
| Met 448 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 78015.8 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 992.1 | |
| All* | Total formula weight | 79008.0 |
