3CL9
Structure of bifunctional TcDHFR-TS in complex with MTX
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Bifunctional dihydrofolate reductase-thymidylate synthase (DHFR-TS) | polymer | 521 | 58904.1 | 1 | UniProt (Q27793) Pfam (PF00186) Pfam (PF00303) | Trypanosoma cruzi | |
| 2 | B, C (A) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 3 | D, E, F (A) | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 4 | G (A) | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 1 | Chemie (NAP) | |||
| 5 | H (A) | METHOTREXATE | non-polymer | 454.4 | 1 | Chemie (MTX) | |||
| 6 | I (A) | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE | non-polymer | 308.2 | 1 | Chemie (UMP) | |||
| 7 | J, K (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
| 8 | L (A) | water | water | 18.0 | 20 | Chemie (HOH) |
Sequence modifications
A: 1 - 521 (UniProt: Q27793)
| PDB | External Database | Details |
|---|---|---|
| Arg 32 | His 32 | SEE REMARK 999 |
| Val 55 | Leu 55 | SEE REMARK 999 |
| Gln 137 | Arg 137 | SEE REMARK 999 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 58904.1 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 1928.6 | |
| All* | Total formula weight | 60832.7 |
