6FDS
Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-226
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, E, F, I, M... (A, B) | GUANIDINE | non-polymer | 59.1 | 6 | Chemie (GAI) | |||
| 3 | D, O (A, B) | 1-[2-[4-[(4~{a}~{S},8~{a}~{R})-4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-2-yl]piperi din-1-yl]-2-oxidanylidene-ethyl]-4,4-dimethyl-piperidine-2,6-dione | non-polymer | 550.6 | 2 | Chemie (D5T) | |||
| 4 | G, K (A, B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 5 | H, J (A, B) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 6 | L (B) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 7 | P, Q (A, B) | water | water | 18.0 | 178 | 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 | 13 |
| Total formula weight | 1727.2 | |
| All* | Total formula weight | 82973.9 |
