6PR8
S. aureus dihydrofoate reductase co-crystallized with 3,5-dimethylphenyl-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) | Staphylococcus aureus | DHFR |
| 2 | B (A) | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(3,5-dimethylphenyl)phthalazin-2(1H)-yl]prop-2-en-1-one | non-polymer | 548.6 | 1 | Chemie (OWJ) PubChem (66573349) PubChem (146672960) | |||
| 3 | C (A) | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 1 | Chemie (NAP) PubChem (5885) PubChem (46936685) PubChem (4412) PubChem (90473931) PubChem (91972139) PubChem (145946263) PubChem (153311489) PubChem (174001641) PubChem (71717786) PubChem (165382010) | |||
| 4 | D, E (A) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) PubChem (753) | |||
| 5 | F (A) | water | water | 18.0 | 169 | 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 | 1476.2 | |
| All* | Total formula weight | 20087.6 |
