5SJO
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C1=CN(N=C(C1=O)c2ccnn2c3ccc(cc3F)F)c4cc(ccc4)OC(F)(F)F, micromolar IC50=0.041355
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, R, X (A, B, C, D) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 3 | F, J, S, Y (A, B, C, D) | MAGNESIUM ION | non-polymer | 24.3 | 4 | Chemie (MG) | |||
| 4 | G (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 5 | H, Q, W, Z (A, B, C, D) | 3-[1-(2,4-difluorophenyl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one | non-polymer | 434.3 | 4 | Chemie (K79) | |||
| 6 | K, L, M, N, O... (B, C) | PRASEODYMIUM ION | non-polymer | 140.9 | 8 | Chemie (PR) | |||
| 7 | P (B) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 8 | AA, BA, CA, DA (A, B, C, D) | water | water | 18.0 | 538 | 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 | 22 |
| Total formula weight | 3350.9 | |
| All* | Total formula weight | 161003.8 |
