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 | 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 | 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) | |||
4 | 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 |