3UI7
Discovery of orally active pyrazoloquinoline as a potent PDE10 inhibitor for the management 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 | 333 | 38594.4 | 2 | UniProt (Q9Y233) | Homo sapiens (human) | |
| 2 | C, F (A, B) | 6-methoxy-3,8-dimethyl-4-(morpholin-4-ylmethyl)-1H-pyrazolo[3,4-b]quinoline | non-polymer | 326.4 | 2 | Chemie (C1L) | |||
| 3 | D, G (A, B) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 4 | E, H (A, B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 5 | I, J (A, B) | water | water | 18.0 | 103 | Chemie (HOH) |
Sequence modifications
A, B: 439 - 770 (UniProt: Q9Y233)
| PDB | External Database | Details |
|---|---|---|
| Gly 438 | - | expression tag |
| Ser 446 | - | insertion |
| His 447 | - | insertion |
| Met 448 | - | insertion |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 77188.9 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 832.2 | |
| All* | Total formula weight | 78021.1 |
