5SIX
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(cc(nc2cc(nn12)c3c(nc4c(n3)cccc4)C)N5CC[C@H](C5)F)NC6CCOCC6, micromolar IC50=0.007291
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | polymer | 343 | 39489.3 | 1 | UniProt (Q9Y233) | Homo sapiens (human) | |
| 2 | B (A) | (8S)-5-[(3S)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine | non-polymer | 447.5 | 1 | Chemie (JU6) | |||
| 3 | C (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 4 | D (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 5 | E (A) | water | water | 18.0 | 85 | Chemie (HOH) |
Sequence modifications
A: 449 - 789 (UniProt: Q9Y233)
| PDB | External Database | Details |
|---|---|---|
| Gly 447 | - | expression tag |
| Ser 448 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 39489.3 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 537.2 | |
| All* | Total formula weight | 40026.5 |
