6K9U
Discovery of Pyrazolo[1,5-a]pyrimidine Derivative as a Highly Selective PDE10A Inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | polymer | 311 | 35914.3 | 1 | UniProt (Q9QYJ6) Pfam (PF00233) In PDB | Rattus norvegicus (Rat) | |
| 2 | A | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 3 | A | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 4 | A | 2-(3,7-dimethylquinoxalin-2-yl)-~{N}-(oxan-4-yl)-5-pyrrolidin-1-yl-pyrazolo[1,5-a]pyrimidin-7-amine | non-polymer | 443.5 | 1 | Chemie (D4L) | |||
| 5 | A | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 6 | water | water | 18.0 | 111 | Chemie (HOH) |
Sequence modifications
A: 452 - 760 (UniProt: Q9QYJ6)
| PDB | External Database | Details |
|---|---|---|
| Gly 450 | - | expression tag |
| Ser 451 | - | expression tag |
| Pro 452 | Phe 462 | See sequence details |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 35914.3 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 629.3 | |
| All* | Total formula weight | 36543.6 |
