4FGH
S. aureus dihydrofolate reductase co-crystallized with ethyl-DAP isobutenyl-dihydrophthalazine 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 | 163 | 18742.5 | 1 | UniProt (P0A017) | Staphylococcus aureus | DHFR |
| 2 | B (A) | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 1 | Chemie (NAP) PubChem (5885) PubChem (46936685) PubChem (71717786) PubChem (4412) PubChem (90473931) PubChem (91972139) PubChem (145946263) PubChem (153311489) PubChem (174001641) PubChem (165382010) | |||
| 3 | C (A) | (2E)-3-{5-[(2,4-diamino-6-ethylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-yl]prop-2-en-1-one | non-polymer | 526.6 | 1 | Chemie (0U6) PubChem (71481337) PubChem (77987243) PubChem (137347894) | |||
| 4 | D (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) PubChem (753) | |||
| 5 | E (A) | water | water | 18.0 | 69 | Chemie (HOH) |
Sequence modifications
A: 0 - 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 | 18742.5 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 1362.1 | |
| All* | Total formula weight | 20104.7 |
