3KFY
Dynamic switching and partial occupancies of a small molecule inhibitor complex of DHFR
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 | 159 | 18020.3 | 1 | UniProt (P0ABQ4) Pfam (PF00186) | Escherichia coli | |
| 2 | B (A) | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 745.4 | 1 | Chemie (NDP) | |||
| 3 | C (A) | 5-[(4-chlorophenyl)sulfanyl]quinazoline-2,4-diamine | non-polymer | 302.8 | 1 | Chemie (JZM) | |||
| 4 | D, E, F (A) | CALCIUM ION | non-polymer | 40.1 | 3 | Chemie (CA) | |||
| 5 | G (A) | water | water | 18.0 | 136 | Chemie (HOH) |
Sequence modifications
A: 1 - 159 (UniProt: P0ABQ4)
| PDB | External Database | Details |
|---|---|---|
| Asp 37 | Asn 37 | variant |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 18020.3 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1168.4 | |
| All* | Total formula weight | 19188.8 |
