2WP5
Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00065414)
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, R, W (A, B, C, D) | FLAVIN-ADENINE DINUCLEOTIDE | non-polymer | 785.5 | 4 | Chemie (FAD) | |||
| 3 | F, M, S, X (A, B, C, D) | METHYL [(4S)-6-BROMO-2-METHYL-4-PHENYLQUINAZOLIN-3(4H)-YL]ACETATE | non-polymer | 373.2 | 4 | Chemie (WP5) | |||
| 4 | G, H, N, O, T... (A, B, C, D) | CHLORIDE ION | non-polymer | 35.5 | 8 | Chemie (CL) | |||
| 5 | AA, BA, I, P, Q... (D, A, B, C) | SODIUM ION | non-polymer | 23.0 | 6 | Chemie (NA) | |||
| 6 | J, K (A) | (4R)-2-METHYLPENTANE-2,4-DIOL | non-polymer | 118.2 | 2 | Chemie (MRD) | |||
| 7 | CA, DA (D) | (4S)-2-METHYL-2,4-PENTANEDIOL | non-polymer | 118.2 | 2 | Chemie (MPD) | |||
| 8 | EA, FA, GA, HA (A, B, C, D) | water | water | 18.0 | 207 | 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 | 26 |
| Total formula weight | 5529.4 | |
| All* | Total formula weight | 219521.3 |
