6FE3
Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1439
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Phosphodiesterase | polymer | 360 | 40623.3 | 2 | UniProt (Q8WQX9) Pfam (PF00233) In PDB | Trypanosoma brucei | |
| 2 | A, B | GUANIDINE | non-polymer | 59.1 | 7 | Chemie (GAI) | |||
| 3 | A | 1-(2-{4-[(4aS,8aR)-4-[3,4-bis(difluoromethoxy)phenyl]-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)-4,4-dimethylpiperidine-2,6-dione | non-polymer | 622.6 | 1 | Chemie (D68) | |||
| 4 | A, B | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 5 | A, B | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 6 | A | FORMIC ACID | non-polymer | 46.0 | 4 | Chemie (FMT) | |||
| 7 | B | GLYCEROL | non-polymer | 92.1 | 4 | Chemie (GOL) | |||
| 8 | water | water | 18.0 | 500 | Chemie (HOH) |
Sequence modifications
A, B: 565 - 918 (UniProt: Q8WQX9)
| PDB | External Database | Details |
|---|---|---|
| Gly 559 | - | expression tag |
| Ser 560 | - | expression tag |
| His 561 | - | expression tag |
| Met 562 | - | expression tag |
| Ala 563 | - | expression tag |
| Ser 564 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 81246.7 | |
| Non-Polymers* | Number of molecules | 20 |
| Total formula weight | 1768.0 | |
| All* | Total formula weight | 83014.7 |
