8DI4
Discovery of MK-8189, a highly potent and selective PDE10A inhibitor 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 | 345 | 39606.4 | 2 | UniProt (Q9Y233) | Homo sapiens (human) | |
| 2 | C, F (A, B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 3 | D, G (A, B) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 4 | E, H (A, B) | 2-methyl-6-{[(1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl]methoxy}-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine | non-polymer | 382.5 | 2 | Chemie (S9I) | |||
| 5 | I, J (A, B) | water | water | 18.0 | 105 | Chemie (HOH) |
Sequence modifications
A, B: 439 - 779 (UniProt: Q9Y233)
| PDB | External Database | Details |
|---|---|---|
| Gly 435 | - | expression tag |
| Ser 436 | - | expression tag |
| His 437 | - | expression tag |
| Met 438 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 79212.9 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 944.4 | |
| All* | Total formula weight | 80157.3 |
