4LEK
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 | X | Dihydrofolate reductase | polymer | 167 | 19347.1 | 1 | UniProt (P0A017) Pfam (PF00186) In PDB | Staphylococcus aureus | DHFR |
2 | X | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 1 | Chemie (NAP) | |||
3 | X | 7-[5,6-dimethoxy-2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine | non-polymer | 419.5 | 1 | Chemie (1DN) | |||
4 | water | water | 18.0 | 105 | 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 | 1162.9 | |
All* | Total formula weight | 20510.0 |