4TPM
Crystal structure of 2-(3-alkoxy-1-azetidinyl) quinolines as PDE10A Inhibitors
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 | 351 | 40575.4 | 2 | UniProt (Q9Y233) In PDB | Homo sapiens (Human) | |
2 | A, B | SULFATE ION | non-polymer | 96.1 | 14 | Chemie (SO4) | |||
3 | A | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
4 | A, B | [1-(3-{[1-(quinolin-2-yl)azetidin-3-yl]oxy}pyrazin-2-yl)piperidin-4-yl]methanol | non-polymer | 391.5 | 2 | Chemie (35E) | |||
5 | A, B | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
6 | water | water | 18.0 | 63 | Chemie (HOH) |
Sequence modifications
A, B: 442 - 779 (UniProt: Q9Y233)
PDB | External Database | Details |
---|---|---|
Met 429 | - | initiating methionine |
Lys 430 | - | expression tag |
His 431 | - | expression tag |
His 432 | - | expression tag |
His 433 | - | expression tag |
His 434 | - | expression tag |
His 435 | - | expression tag |
His 436 | - | expression tag |
His 437 | - | expression tag |
Asp 438 | - | expression tag |
Glu 439 | - | expression tag |
Val 440 | - | expression tag |
Asp 441 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 81150.8 | |
Non-Polymers* | Number of molecules | 21 |
Total formula weight | 2481.5 | |
All* | Total formula weight | 83632.3 |