6PRB
S. aureus dihydrofolate reductase co-crystallized with cyclopropyl-dimethyoxydihydropthalazine 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 | Dihydrofolate reductase | polymer | 162 | 18611.3 | 1 | UniProt (P0A017) Pfam (PF00186) In PDB | Staphylococcus aureus | DHFR |
| 2 | A | (2E)-1-[(1S)-1-cyclopropyl-6,7-dimethoxy-3,4-dihydrophthalazin-2(1H)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one | non-polymer | 544.6 | 1 | Chemie (R0Y) | |||
| 3 | A | (2E)-1-[(1R)-1-cyclopropyl-6,7-dimethoxyphthalazin-2(1H)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one | non-polymer | 544.6 | 1 | Chemie (OWM) | |||
| 4 | A | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 5 | A | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 1 | Chemie (NAP) | |||
| 6 | water | water | 18.0 | 128 | 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 | 1924.7 | |
| All* | Total formula weight | 20536.0 |
