4LAG
Structure-Based Design of New Dihydrofolate Reductase Antibacterial Agents: 7-(Benzimidazol-1-yl)-2,4-diaminoquinazolines
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (X) | Dihydrofolate reductase | polymer | 167 | 19347.1 | 1 | UniProt (P0A017) | Staphylococcus aureus | DHFR |
| 2 | B (X) | 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 (X) | 6-chloro-7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine | non-polymer | 421.9 | 1 | Chemie (1VN) PubChem (46898103) | |||
| 4 | D (X) | water | water | 18.0 | 98 | Chemie (HOH) |
Sequence modifications
X: 1 - 159 (UniProt: P0A017)
| PDB | External Database | Details |
|---|---|---|
| Leu 160 | - | expression tag |
| Glu 161 | - | expression tag |
| His 162 | - | expression tag |
| His 163 | - | expression tag |
| His 164 | - | expression tag |
| His 165 | - | expression tag |
| His 166 | - | expression tag |
| His 167 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 19347.1 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1165.3 | |
| All* | Total formula weight | 20512.4 |
