3K45
Alternate Binding Modes Observed for the E- and Z-isomers of 2,4-Diaminofuro[2,3d]pyrimidines as Ternary Complexes with NADPH and Mouse Dihydrofolate Reductase
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Dihydrofolate reductase | polymer | 186 | 21489.8 | 1 | UniProt (P00375) Pfam (PF00186) | Mus musculus (mouse) | |
| 2 | B (A) | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 745.4 | 1 | Chemie (NDP) | |||
| 3 | C (A) | 5-[(1Z)-2-(2-methoxyphenyl)prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine | non-polymer | 296.3 | 1 | Chemie (51P) | |||
| 4 | D (A) | water | water | 18.0 | 181 | Chemie (HOH) |
Sequence modifications
A: 1 - 186 (UniProt: P00375)
| PDB | External Database | Details |
|---|---|---|
| Asp 104 | Glu 105 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 21489.8 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1041.7 | |
| All* | Total formula weight | 22531.6 |
