1J3K
Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with WR99210, NADPH, and dUMP
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) | Bifunctional dihydrofolate reductase-thymidylate synthase | polymer | 280 | 33213.3 | 2 | UniProt (P13922) Pfam (PF00186) | Plasmodium falciparum (malaria parasite P. falciparum) | |
| 2 | C, D (C, D) | Bifunctional dihydrofolate reductase-thymidylate synthase | polymer | 328 | 38712.9 | 2 | UniProt (P13922) Pfam (PF00303) | Plasmodium falciparum (malaria parasite P. falciparum) | |
| 3 | E, G (A, B) | 6,6-DIMETHYL-1-[3-(2,4,5-TRICHLOROPHENOXY)PROPOXY]-1,6-DIHYDRO-1,3,5-TRIAZINE-2,4-DIAMINE | non-polymer | 394.7 | 2 | Chemie (WRA) | |||
| 4 | F, H (A, B) | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 745.4 | 2 | Chemie (NDP) | |||
| 5 | I, J (C, D) | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE | non-polymer | 308.2 | 2 | Chemie (UMP) | |||
| 6 | K, L, M, N (A, B, C, D) | water | water | 18.0 | 1247 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 280 (UniProt: P13922)
| PDB | External Database | Details |
|---|---|---|
| Ile 51 | Asn 51 | engineered mutation |
| Arg 59 | Cys 59 | engineered mutation |
| Asn 108 | Ser 108 | engineered mutation |
| Leu 164 | Ile 164 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 143852.5 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 2896.6 | |
| All* | Total formula weight | 146749.1 |
