2WPE
Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00073359)
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 | |
| 2 | CA, E, M, U (D, A, B, C) | FLAVIN-ADENINE DINUCLEOTIDE | non-polymer | 785.5 | 4 | Chemie (FAD) | |||
| 3 | DA, F, N, V (D, A, B, C) | N-{2-[(4S)-6-CHLORO-2-METHYL-4-PHENYLQUINAZOLIN-3(4H)-YL]ETHYL}FURAN-2-CARBOXAMIDE | non-polymer | 393.9 | 4 | Chemie (WPE) | |||
| 4 | EA, G, O, W (D, A, B, C) | SODIUM ION | non-polymer | 23.0 | 4 | Chemie (NA) | |||
| 5 | AA, BA, FA, GA, H... (C, D, A, B) | CHLORIDE ION | non-polymer | 35.5 | 18 | Chemie (CL) | |||
| 6 | L (A) | (4S)-2-METHYL-2,4-PENTANEDIOL | non-polymer | 118.2 | 1 | Chemie (MPD) | |||
| 7 | JA (D) | (4R)-2-METHYLPENTANE-2,4-DIOL | non-polymer | 118.2 | 1 | Chemie (MRD) | |||
| 8 | KA, LA, MA, NA (A, B, C, D) | water | water | 18.0 | 1216 | 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 | 32 |
| Total formula weight | 5684.1 | |
| All* | Total formula weight | 219676.0 |
