1BOZ
STRUCTURE-BASED DESIGN AND SYNTHESIS OF LIPOPHILIC 2,4-DIAMINO-6-SUBSTITUTED QUINAZOLINES AND THEIR EVALUATION AS INHIBITORS OF DIHYDROFOLATE REDUCTASE AND POTENTIAL ANTITUMOR AGENTS
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | PROTEIN (DIHYDROFOLATE REDUCTASE) | polymer | 186 | 21259.4 | 1 | UniProt (P00374) Pfam (PF00186) | Homo sapiens (human) | |
| 2 | B (A) | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 745.4 | 1 | Chemie (NDP) | |||
| 3 | C (A) | N6-(2,5-DIMETHOXY-BENZYL)-N6-METHYL-PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE | non-polymer | 340.4 | 1 | Chemie (PRD) | |||
| 4 | D (A) | water | water | 18.0 | 125 | Chemie (HOH) |
Sequence modifications
A: 1 - 186 (UniProt: P00374)
| PDB | External Database | Details |
|---|---|---|
| Gly 31 | Phe 32 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 21259.4 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1085.8 | |
| All* | Total formula weight | 22345.2 |
