3NRR
Co-crystal structure of dihydrofolate reductase-thymidylate synthase from Babesia bovis with dUMP, Raltitrexed and NADP
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Dihydrofolate reductase-thymidylate synthase | polymer | 515 | 58582.0 | 2 | UniProt (A7ASX7) Pfam (PF00186) Pfam (PF00303) In PDB | Babesia bovis | |
| 2 | A, B | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 3 | A, B | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 2 | Chemie (NAP) | |||
| 4 | A, B | TOMUDEX | non-polymer | 458.5 | 4 | Chemie (D16) | |||
| 5 | A, B | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE | non-polymer | 308.2 | 2 | Chemie (UMP) | |||
| 6 | B, A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 13 | Chemie (EDO) | |||
| 7 | A | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 8 | B | PHOSPHATE ION | non-polymer | 95.0 | 1 | Chemie (PO4) | |||
| 9 | water | water | 18.0 | 1025 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 511 (UniProt: A7ASX7)
| PDB | External Database | Details |
|---|---|---|
| Gly -3 | - | expression tag |
| Pro -2 | - | expression tag |
| Gly -1 | - | expression tag |
| Ser 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 117163.9 | |
| Non-Polymers* | Number of molecules | 25 |
| Total formula weight | 5002.0 | |
| All* | Total formula weight | 122165.9 |
