7A28
Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-617
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Phosphodiesterase | polymer | 360 | 40623.3 | 2 | UniProt (Q8WQX9) Pfam (PF00233) | Trypanosoma brucei | |
| 2 | C, P (A, B) | 1-cycloheptyl-3-(4-methoxy-3-{4-[4-(1H-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy}phenyl)-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one | non-polymer | 546.7 | 2 | Chemie (QWT) | |||
| 3 | D, Q (A, B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 4 | E, R (A, B) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 5 | F, G, S, T (A, B) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 4 | Chemie (PEG) | |||
| 6 | H, I, J, N, O... (A, B) | GLYCEROL | non-polymer | 92.1 | 6 | Chemie (GOL) | |||
| 7 | K, L, M, V, W (A, B) | GUANIDINE | non-polymer | 59.1 | 5 | Chemie (GAI) | |||
| 8 | X, Y (A, B) | water | water | 18.0 | 454 | 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 | 21 |
| Total formula weight | 2545.1 | |
| All* | Total formula weight | 83791.8 |
