8CCM
Crystal structure of Mycobacterium smegmatis thioredoxin reductase in complex with Compound 2-06
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Thioredoxin reductase | polymer | 319 | 34578.7 | 1 | UniProt (I7FW12) Pfam (PF07992) UniProt (by SIFTS) (A0R7I9) | Mycolicibacterium smegmatis MC2 155 | |
| 2 | B (A) | FLAVIN-ADENINE DINUCLEOTIDE | non-polymer | 785.5 | 1 | Chemie (FAD) | |||
| 3 | C (A) | ~{N}6-(4-aminophenyl)-1,2-benzothiazole-3,6-diamine | non-polymer | 256.3 | 1 | Chemie (U9C) | |||
| 4 | D, E (A) | MALONATE ION | non-polymer | 102.0 | 2 | Chemie (MLI) | |||
| 5 | F (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 6 | G, H (A) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 7 | I, J (A) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 8 | K (A) | water | water | 18.0 | 185 | Chemie (HOH) |
Sequence modifications
A: 1 - 311 (UniProt: I7FW12)
| PDB | External Database | Details |
|---|---|---|
| Met -7 | - | initiating methionine |
| Ala -6 | - | expression tag |
| His -5 | - | expression tag |
| His -4 | - | expression tag |
| His -3 | - | expression tag |
| His -2 | - | expression tag |
| His -1 | - | expression tag |
| His 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 34578.7 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 1457.6 | |
| All* | Total formula weight | 36036.3 |
