2ANO
Crystal structure of E.coli dihydrofolate reductase in complex with NADPH and the inhibitor MS-SH08-17
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) | MANGANESE (II) ION | non-polymer | 54.9 | 1 | Chemie (MN) | |||
| 3 | C (A) | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 745.4 | 1 | Chemie (NDP) | |||
| 4 | D (A) | 1-{[N-(1-IMINO-GUANIDINO-METHYL)]SULFANYLMETHYL}-3-TRIFLUOROMETHYL-BENZENE | non-polymer | 276.3 | 1 | Chemie (817) | |||
| 5 | E (A) | water | water | 18.0 | 118 | Chemie (HOH) |
Sequence modifications
A: 1 - 159 (UniProt: P0ABQ4)
| PDB | External Database | Details |
|---|---|---|
| Asp 37 | Asn 37 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 18020.3 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 1076.6 | |
| All* | Total formula weight | 19097.0 |
