4P8M
Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN114
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Probable decaprenylphosphoryl-beta-D-ribose oxidase | polymer | 480 | 52260.1 | 2 | UniProt (P72056) In PDB | Mycobacterium tuberculosis | DprE1 |
2 | A, B | FLAVIN-ADENINE DINUCLEOTIDE | non-polymer | 785.5 | 2 | Chemie (FAD) | |||
3 | A, B | 3-[(4-ethoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid | non-polymer | 391.3 | 2 | Chemie (R58) | |||
4 | A | (2R)-2-{[(2R)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol | non-polymer | 192.3 | 1 | Chemie (2J3) | |||
5 | A | IMIDAZOLE | non-polymer | 69.1 | 1 | Chemie (IMD) | |||
6 | water | water | 18.0 | 199 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 461 (UniProt: P72056)
PDB | External Database | Details |
---|---|---|
Gly -18 | - | expression tag |
Ser -17 | - | expression tag |
Ser -16 | - | expression tag |
His -15 | - | expression tag |
His -14 | - | expression tag |
His -13 | - | expression tag |
His -12 | - | expression tag |
His -11 | - | expression tag |
His -10 | - | expression tag |
Ser -9 | - | expression tag |
Ser -8 | - | expression tag |
Gly -7 | - | expression tag |
Leu -6 | - | expression tag |
Val -5 | - | expression tag |
Pro -4 | - | expression tag |
Arg -3 | - | expression tag |
Gly -2 | - | expression tag |
Ser -1 | - | expression tag |
His 0 | - | expression tag |
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 | 2615.1 | |
All* | Total formula weight | 107135.4 |