5SJP
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH N1(CCC1)C(=O)c2c(n(nc2)C)C(=O)Nc3cc(nc(c3)C)NC(NC(OCC)=O)=S, micromolar IC50=0.402697
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, H, K, N (A, B, C, D) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 3 | F, I, L, O (A, B, C, D) | MAGNESIUM ION | non-polymer | 24.3 | 4 | Chemie (MG) | |||
| 4 | G, J, M, P (A, B, C, D) | ethyl [(4-{[4-(azetidine-1-carbonyl)-1-methyl-1H-pyrazole-5-carbonyl]amino}-6-methylpyridin-2-yl)carbamothioyl]carbamate | non-polymer | 445.5 | 4 | Chemie (K6O) | |||
| 5 | Q, R, S, T (A, B, C, D) | water | water | 18.0 | 455 | 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 | 12 |
| Total formula weight | 2140.8 | |
| All* | Total formula weight | 159793.6 |
