6BTL
Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor RD117 1-[2-(Piperazin-1-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole
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) | Trypanothione reductase | polymer | 495 | 53498.0 | 2 | UniProt (Q389T8) Pfam (PF07992) Pfam (PF02852) | Trypanosoma brucei brucei TREU927 | |
| 2 | C, J (A, B) | FLAVIN-ADENINE DINUCLEOTIDE | non-polymer | 785.5 | 2 | Chemie (FAD) | |||
| 3 | D, E, F, I, K (A, B) | SULFATE ION | non-polymer | 96.1 | 5 | Chemie (SO4) | |||
| 4 | G, M (A, B) | 1-[2-(piperazin-1-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole | non-polymer | 463.7 | 2 | Chemie (RD7) | |||
| 5 | H, O, P, Q (A, B) | GLYCEROL | non-polymer | 92.1 | 4 | Chemie (GOL) | |||
| 6 | L, N (B) | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID | non-polymer | 238.3 | 2 | Chemie (EPE) | |||
| 7 | R, S (A, B) | water | water | 18.0 | 9 | Chemie (HOH) |
Sequence modifications
A, B: 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 | 2 |
| Total formula weight | 106995.9 | |
| Non-Polymers* | Number of molecules | 15 |
| Total formula weight | 3823.8 | |
| All* | Total formula weight | 110819.7 |
