9HYL
Crystal structure of Trypanosoma brucei trypanothione reductase (TbTR) bound to PROTAC-3
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | Trypanothione reductase | polymer | 495 | 53498.0 | 4 | UniProt (Q389T8) Pfam (PF07992) Pfam (PF02852) | Trypanosoma brucei | N(1),N(8)-bis(glutathionyl)spermidine reductase |
| 2 | E, P, U, Z (A, B, C, D) | FLAVIN-ADENINE DINUCLEOTIDE | non-polymer | 785.5 | 4 | Chemie (FAD) | |||
| 3 | AA, F, Q, V (D, A, B, C) | N-(2-(2-(2-((S)-6-chloro-2-methyl-4-phenylquinazolin-3(4H)-yl)ethoxy)ethoxy)ethyl)-2-(2-(2-((2-((3~{R})-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)ethoxy)ethoxy)acetamide | non-polymer | 789.3 | 4 | Chemie (A1IYD) | |||
| 4 | BA, CA, G, I, J... (D, A, C) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 8 | Chemie (PEG) PubChem (8117) | |||
| 5 | H, W (A, C) | IMIDAZOLE | non-polymer | 69.1 | 2 | Chemie (IMD) | |||
| 6 | K (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) PubChem (679) | |||
| 7 | N, O, R, S, T... (A, B, C) | SODIUM ION | non-polymer | 23.0 | 6 | Chemie (NA) PubChem (923) | |||
| 8 | DA, EA, FA, GA (A, B, C, D) | water | water | 18.0 | 661 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 492 (UniProt: Q389T8)
| PDB | External Database | Details |
|---|---|---|
| Gly -2 | - | expression tag |
| Ser -1 | - | expression tag |
| His 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 213991.9 | |
| Non-Polymers* | Number of molecules | 25 |
| Total formula weight | 7502.5 | |
| All* | Total formula weight | 221494.4 |
