6PR9
S. aureus dihydrofolate reductase co-crystallized with 1-ethylpropyl-dihydropthalazine inhibitor and NADP(H)
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 | 162 | 18611.3 | 1 | UniProt (P0A017) Pfam (PF00186) | Staphylococcus aureus | DHFR |
| 2 | B (A) | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 1 | Chemie (NAP) | |||
| 3 | C (A) | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(pentan-3-yl)-3,4-dihydrophthalazin-2(1H)-yl]prop-2-en-1-one | non-polymer | 516.6 | 1 | Chemie (OWV) | |||
| 4 | D, E (A) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 5 | F (A) | water | water | 18.0 | 164 | Chemie (HOH) |
Sequence modifications
A: 1 - 158 (UniProt: P0A017)
| PDB | External Database | Details |
|---|---|---|
| Leu 159 | - | expression tag |
| Val 160 | - | expression tag |
| Pro 161 | - | expression tag |
| Arg 162 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 18611.3 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1444.2 | |
| All* | Total formula weight | 20055.6 |
