8PF3
Crystal structure of Trypanosoma brucei trypanothione reductase in complex with 1-(3,4-dichlorobenzyl)-4-(((5-((4-fluorophenethyl)carbamoyl)furan-2-yl)methyl)(4-fluorophenyl)carbamoyl)-1-(3-phenylpropyl)piperazin-1-ium
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 (A0A3L6KZJ1) Pfam (PF07992) Pfam (PF02852) UniProt (by SIFTS) (Q389T8) | Trypanosoma brucei | N(1),N(8)-bis(glutathionyl)spermidine reductase |
| 2 | E, I, L, O (A, B, C, D) | FLAVIN-ADENINE DINUCLEOTIDE | non-polymer | 785.5 | 4 | Chemie (FAD) | |||
| 3 | F, J, M, P (A, B, C, D) | 4-[(3,4-dichlorophenyl)methyl]-~{N}-(4-fluorophenyl)-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-(3-phenylpropyl)-1,4$l^{4}-diazinane-1-carboxamide | non-polymer | 746.7 | 4 | Chemie (YJ6) | |||
| 4 | G, H, N, Q (A, C, D) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 4 | Chemie (PEG) | |||
| 5 | K (B) | IMIDAZOLE | non-polymer | 69.1 | 1 | Chemie (IMD) | |||
| 6 | R, S, T, U (A, B, C, D) | water | water | 18.0 | 595 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 492 (UniProt: A0A3L6KZJ1)
| 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 | 13 |
| Total formula weight | 6622.5 | |
| All* | Total formula weight | 220614.4 |
