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 | TRYPANOTHIONE REDUCTASE | polymer | 495 | 53498.0 | 4 | UniProt (Q389T8) Pfam (PF07992) Pfam (PF02852) In PDB | TRYPANOSOMA BRUCEI | |
2 | D, A, B, C | FLAVIN-ADENINE DINUCLEOTIDE | non-polymer | 785.5 | 4 | Chemie (FAD) | |||
3 | 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 | D, A, B, C | SODIUM ION | non-polymer | 23.0 | 4 | Chemie (NA) | |||
5 | C, D, A, B | CHLORIDE ION | non-polymer | 35.5 | 18 | Chemie (CL) | |||
6 | A | (4S)-2-METHYL-2,4-PENTANEDIOL | non-polymer | 118.2 | 1 | Chemie (MPD) | |||
7 | D | (4R)-2-METHYLPENTANE-2,4-DIOL | non-polymer | 118.2 | 1 | Chemie (MRD) | |||
8 | 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 |