3I8A
Staphylococcus aureus H30N, F98Y Dihydrofolate Reductase complexed with NADPH and 2,4-diamino-5-(3-(2,5-dimethoxyphenyl)prop-1-ynyl)-6-ethylpyrimidine (UCP120B)
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 | 157 | 18007.5 | 1 | UniProt (P0A017) Pfam (PF00186) In PDB | Staphylococcus aureus | DHFR |
| 2 | X | 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine | non-polymer | 312.4 | 1 | Chemie (N22) | |||
| 3 | X | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 745.4 | 1 | Chemie (NDP) | |||
| 4 | water | water | 18.0 | 43 | Chemie (HOH) |
Sequence modifications
X: 1 - 157 (UniProt: P0A017)
| PDB | External Database | Details |
|---|---|---|
| Asn 30 | His 31 | engineered mutation |
| Tyr 98 | Phe 99 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 18007.5 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1057.8 | |
| All* | Total formula weight | 19065.3 |
