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 (A, B) | Dihydrofolate reductase-thymidylate synthase | polymer | 515 | 58582.0 | 2 | UniProt (A7ASX7) Pfam (PF00186) Pfam (PF00303) | Babesia bovis | |
| 2 | C, S (A, B) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 3 | D, T (A, B) | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 2 | Chemie (NAP) | |||
| 4 | E, G, U, W (A, B) | TOMUDEX | non-polymer | 458.5 | 4 | Chemie (D16) | |||
| 5 | F, V (A, B) | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE | non-polymer | 308.2 | 2 | Chemie (UMP) | |||
| 6 | AA, H, I, J, K... (B, A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 13 | Chemie (EDO) | |||
| 7 | O (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 8 | R (B) | PHOSPHATE ION | non-polymer | 95.0 | 1 | Chemie (PO4) | |||
| 9 | BA, CA (A, B) | 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 |
