5SJR
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c4(c(c1ccc(cc1)c2ccccc2OCC)nc3ccc(cc3c4N[C@@H](C(O)=O)C)F)C#N, micromolar IC50=0.0015665
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) Pfam (PF00233) | Homo sapiens (human) | |
| 2 | E, J, N, Q (A, B, C, D) | N-[3-cyano-2-(2'-ethoxy[1,1'-biphenyl]-4-yl)-6-fluoroquinolin-4-yl]-D-alanine | non-polymer | 455.5 | 4 | Chemie (K63) | |||
| 3 | F, K, O, R (A, B, C, D) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 4 | G, L, P, S (A, B, C, D) | MAGNESIUM ION | non-polymer | 24.3 | 4 | Chemie (MG) | |||
| 5 | H (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 6 | I, M (A, B) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 7 | T, U, V, W (A, B, C, D) | water | water | 18.0 | 407 | 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 | 15 |
| Total formula weight | 2400.4 | |
| All* | Total formula weight | 160053.2 |
