5AXQ
Crystal structure of the catalytic domain of PDE10A complexed with highly potent and brain-penetrant PDE10A Inhibitor with 2-oxindole scaffold
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | polymer | 338 | 38889.6 | 2 | UniProt (Q9Y233) In PDB | Homo sapiens (Human) | |
| 2 | A, B | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 3 | A, B | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 4 | A | 1-(cyclopropylmethyl)-4-fluoranyl-5-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]-3,3-dimethyl-indol-2-one | non-polymer | 499.5 | 1 | Chemie (4LP) | |||
| 5 | B | 3-[3-fluoranyl-4-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one | non-polymer | 447.4 | 1 | Chemie (4LK) | |||
| 6 | water | water | 18.0 | 401 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 77779.2 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 1126.4 | |
| All* | Total formula weight | 78905.6 |
