5SJS
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(ccc(n1)C2CC2)Nc3cncnc3)C(Nc4c(ccnc4)C(=O)N(C)C)=O, micromolar IC50=0.087803
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | polymer | 343 | 39413.2 | 4 | UniProt (Q9Y233) | Homo sapiens (human) | |
| 2 | E, I, M, P (A, B, C, D) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 3 | F (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 4 | G, J, N, Q (A, B, C, D) | MAGNESIUM ION | non-polymer | 24.3 | 4 | Chemie (MG) | |||
| 5 | H, L, O, R (A, B, C, D) | 6-cyclopropyl-N-[4-(dimethylcarbamoyl)pyridin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide | non-polymer | 403.4 | 4 | Chemie (K5R) | |||
| 6 | K (B) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 7 | S, T, U, V (A, B, C, D) | water | water | 18.0 | 168 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 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 | 4 |
| Total formula weight | 157652.8 | |
| Non-Polymers* | Number of molecules | 14 |
| Total formula weight | 2100.2 | |
| All* | Total formula weight | 159753.0 |
