2WPC
Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00073357)
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 | E, L, S, Y (A, B, C, D) | FLAVIN-ADENINE DINUCLEOTIDE | non-polymer | 785.5 | 4 | Chemie (FAD) | |||
| 3 | F, M, T, Z (A, B, C, D) | (4S)-6-CHLORO-3-{2-[4-(FURAN-2-YLCARBONYL)PIPERAZIN-1-YL]ETHYL}-2-METHYL-4-PHENYL-3,4-DIHYDROQUINAZOLINE | non-polymer | 463.0 | 4 | Chemie (WP7) | |||
| 4 | AA, BA, CA, G, H... (D, A, B, C) | CHLORIDE ION | non-polymer | 35.5 | 11 | Chemie (CL) | |||
| 5 | DA, EA, J, K, Q... (D, A, B, C) | SODIUM ION | non-polymer | 23.0 | 8 | Chemie (NA) | |||
| 6 | FA, GA, HA, IA (A, B, C, D) | water | water | 18.0 | 1427 | 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 | 27 |
| Total formula weight | 5568.0 | |
| All* | Total formula weight | 219559.9 |
