4P66
Electrostatics of Active Site Microenvironments of E. coli DHFR
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Dihydrofolate reductase | polymer | 159 | 17998.3 | 1 | UniProt (C3TR70) Pfam (PF00186) In PDB | Escherichia coli | |
| 2 | A | METHOTREXATE | non-polymer | 454.4 | 1 | Chemie (MTX) | |||
| 3 | A | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 1 | Chemie (NAP) | |||
| 4 | A | CALCIUM ION | non-polymer | 40.1 | 2 | Chemie (CA) | |||
| 5 | water | water | 18.0 | 88 | Chemie (HOH) |
Sequence modifications
A: 1 - 159 (UniProt: C3TR70)
| PDB | External Database | Details |
|---|---|---|
| Xcn 46 | Thr 46 | engineered mutation |
| Ala 85 | Cys 85 | engineered mutation |
| Ser 152 | Cys 152 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 17998.3 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1278.0 | |
| All* | Total formula weight | 19276.3 |
