2INQ
Neutron Crystal Structure of Escherichia coli Dihydrofolate Reductase Bound to the Anti-cancer drug, Methotrexate
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Dihydrofolate reductase | polymer | 159 | 18020.3 | 2 | UniProt (P0ABQ4) Pfam (PF00186) | Escherichia coli K12 | |
| 2 | C, D (A, B) | N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-6-YL)METHYL](METHYL)AMINO}BENZOYL)-L-GLUTAMIC ACID | non-polymer | 455.4 | 2 | Chemie (MT1) | |||
| 3 | E, F (A, B) | water | water | 18.0 | 152 | Chemie (HOH) |
Sequence modifications
A, B: 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 | 2 |
| Total formula weight | 36040.7 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 910.9 | |
| All* | Total formula weight | 36951.5 |
