2WPF
Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00085762)
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 (P39051) Pfam (PF07992) Pfam (PF02852) UniProt (by SIFTS) (Q389T8) | TRYPANOSOMA BRUCEI | |
| 2 | E, J, O, S (A, B, C, D) | FLAVIN-ADENINE DINUCLEOTIDE | non-polymer | 785.5 | 4 | Chemie (FAD) | |||
| 3 | F, K, P, T (A, B, C, D) | 3-[(4S)-6-CHLORO-2-METHYL-4-(4-METHYLPHENYL)QUINAZOLIN-3(4H)-YL]-N,N-DIMETHYLPROPAN-1-AMINE | non-polymer | 355.9 | 4 | Chemie (WPF) | |||
| 4 | G, H, I, L, M... (A, B, C) | CHLORIDE ION | non-polymer | 35.5 | 7 | Chemie (CL) | |||
| 5 | N, U, V (B, D) | BROMIDE ION | non-polymer | 79.9 | 3 | Chemie (BR) | |||
| 6 | W, X, Y, Z (A, B, C, D) | water | water | 18.0 | 1293 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 492 (UniProt: P39051)
| 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 | 18 |
| Total formula weight | 5053.7 | |
| All* | Total formula weight | 219045.6 |
