5IST
Staphylococcus aureus Dihydrofolate Reductase complexed with beta-NADPH, cyclic alpha-NADPH anomer and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-biphenyl]-4-carboxylic acid (UCP1106)
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 | 160 | 18371.9 | 1 | UniProt (P0A017) Pfam (PF00186) In PDB | Staphylococcus aureus | DHFR |
| 2 | X | 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-4-methoxy-phenyl]benzoic acid | non-polymer | 402.4 | 1 | Chemie (U06) | |||
| 3 | X | Tricyclic NADPH | non-polymer | 745.4 | 1 | Chemie (XNP) | |||
| 4 | X | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 1 | Chemie (NAP) | |||
| 5 | water | water | 18.0 | 123 | Chemie (HOH) |
Sequence modifications
X: 1 - 157 (UniProt: P0A017)
| PDB | External Database | Details |
|---|---|---|
| Asn 30 | His 31 | engineered mutation |
| Leu 158 | - | expression tag |
| Glu 159 | - | expression tag |
| His 160 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 18371.9 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 1891.3 | |
| All* | Total formula weight | 20263.2 |
