6UWQ
Crystal structure of dihydrofolate reductase from Mycobacterium ulcerans with SDDC-0001565 inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Dihydrofolate reductase | polymer | 173 | 19035.6 | 1 | UniProt (A0PQG8) | Mycobacterium ulcerans (strain Agy99) | |
| 2 | B (A) | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 1 | Chemie (NAP) | |||
| 3 | C (A) | 3-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid | non-polymer | 360.4 | 1 | Chemie (QKJ) | |||
| 4 | D, E (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
| 5 | F (A) | water | water | 18.0 | 203 | Chemie (HOH) |
Sequence modifications
A: 9 - 173 (UniProt: A0PQG8)
| PDB | External Database | Details |
|---|---|---|
| Met 1 | - | expression tag |
| Ala 2 | - | expression tag |
| His 3 | - | expression tag |
| His 4 | - | expression tag |
| His 5 | - | expression tag |
| His 6 | - | expression tag |
| His 7 | - | expression tag |
| His 8 | - | expression tag |
| Ser 97 | Cys 89 | conflict |
| Ala 104 | Glu 96 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 19035.6 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1227.9 | |
| All* | Total formula weight | 20263.6 |
