4PHL
TbrPDEB1-inhibitor complex
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) | Class 1 phosphodiesterase PDEB1 | polymer | 347 | 39093.7 | 2 | UniProt (Q8WQX9) Pfam (PF00233) | Trypanosoma brucei | |
| 2 | C, H (A, B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 3 | D, I (A, B) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 4 | E, J (A, B) | 3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-METHOXYBENZAMIDE | non-polymer | 381.3 | 2 | Chemie (PIL) | |||
| 5 | F (A) | GUANIDINE | non-polymer | 59.1 | 1 | Chemie (GAI) | |||
| 6 | G (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 7 | K (B) | ETHANOL | non-polymer | 46.1 | 1 | Chemie (EOH) | |||
| 8 | L, M (A, B) | water | water | 18.0 | 457 | Chemie (HOH) |
Sequence modifications
A, B: 576 - 918 (UniProt: Q8WQX9)
| PDB | External Database | Details |
|---|---|---|
| His 572 | - | expression tag |
| Met 573 | - | expression tag |
| Ala 574 | - | expression tag |
| Ser 575 | - | expression tag |
| Gly 762 | Asp 762 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 78187.5 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 1139.2 | |
| All* | Total formula weight | 79326.6 |
