4P8C
Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN127
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Probable decaprenylphosphoryl-beta-D-ribose oxidase | polymer | 480 | 52260.1 | 2 | UniProt (P72056) Pfam (PF01565) Pfam (PF04030) UniProt (by SIFTS) (P9WJF1) | Mycobacterium tuberculosis | DprE1 |
| 2 | C, G (A, B) | FLAVIN-ADENINE DINUCLEOTIDE | non-polymer | 785.5 | 2 | Chemie (FAD) | |||
| 3 | D, H (A, B) | 6-(trifluoromethyl)-3-{[4-(trifluoromethyl)benzyl]amino}quinoxaline-2-carboxylic acid | non-polymer | 415.3 | 2 | Chemie (Y22) | |||
| 4 | E (A) | IMIDAZOLE | non-polymer | 69.1 | 1 | Chemie (IMD) | |||
| 5 | F (A) | (2R)-2-{[(2R)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol | non-polymer | 192.3 | 1 | Chemie (2J3) | |||
| 6 | I, J (A, B) | water | water | 18.0 | 236 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 104520.3 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 2663.0 | |
| All* | Total formula weight | 107183.3 |
