3NXO
Perferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro[2,3-d]pyrimidines as Ternary Complexes with NADPH and Human 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 | 21377.5 | 1 | UniProt (P00374) Pfam (PF00186) | Homo sapiens (human) | |
| 2 | B (A) | 5-[(1Z)-2-(2-methoxyphenyl)-3-methylbut-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine | non-polymer | 324.4 | 1 | Chemie (D2B) | |||
| 3 | C, D, E, F, G (A) | SULFATE ION | non-polymer | 96.1 | 5 | Chemie (SO4) | |||
| 4 | H (A) | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 745.4 | 1 | Chemie (NDP) | |||
| 5 | I (A) | water | water | 18.0 | 165 | Chemie (HOH) |
Sequence modifications
A: 1 - 186 (UniProt: P00374)
| PDB | External Database | Details |
|---|---|---|
| Arg 63 | Lys 64 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 21377.5 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 1550.1 | |
| All* | Total formula weight | 22927.7 |
