UniProt P13922
Bifunctional dihydrofolate reductase-thymidylate synthase (P13922)
Bifunctional dihydrofolate reductase-thymidylate synthase (UniProt P13922), EC 1.5.1.3, 2.1.1.45: 6 experimental structures and 1 predicted model on GenesisL1, 4 ligands bound, 98 pockets. Binding sites, druggability and…
- UniProt
- P13922
- Protein
- Bifunctional dihydrofolate reductase-thymidylate synthase
- EC
- 1.5.1.3, 2.1.1.45
- Experimental structures
- 6
- Predicted models
- 1
- Ligands
- 4
- Pockets
- 98 · 6 records with a druggable one
Structures
7 records of P13922 in the MolNFT archive: 6 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1J3I | Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed… | x-ray diffraction | A, B, C, D | WRA, NDP, UMP | 17 (best 0.74) |
| 1J3I | Wild-type plasmodium falciparum dihydrofolate reductase- thymidylate synthase (pfdhfr-ts) complexed… | x-ray diffraction | A, B, C, D | WRA, NDP, UMP | 17 (best 0.74) |
| 1J3J | Double mutant (C59R+S108N) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase… | x-ray diffraction | A, B, C, D | CP6, NDP, UMP | 17 (best 0.75) |
| 1J3J | Double mutant (C59R+S108N) plasmodium falciparum dihydrofolate reductase-thymidylate synthase… | x-ray diffraction | A, B, C, D | CP6, NDP, UMP | 17 (best 0.75) |
| 1J3K | Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate… | x-ray diffraction | A, B, C, D | WRA, NDP, UMP | 15 (best 0.73) |
| 1J3K | Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate… | x-ray diffraction | A, B, C, D | WRA, NDP, UMP | 15 (best 0.73) |
| P13922 | AlphaFold monomer V2.0 prediction for bifunctional dihydrofolate reductase-thymidylate synthase… | predicted | A | — | — |
Ligands
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · in 6 records
- UMP · 2'-deoxyuridine 5'-monophosphate · in 6 records
- WRA · 6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]-1,6-dihydro-1,3,5-triazine-2,4-diamine · in 4 records
- CP6 · 5-(4-chloro-phenyl)-6-ethyl-pyrimidine-2,4-diamine · in 2 records
Experiment against prediction
- 1J3K chain A against the predicted model P13922: TM-score 0.99, RMSD 0.78 Å
- 1J3K chain A against the predicted model P13922: TM-score 0.99, RMSD 0.78 Å
- 1J3K chain D against the predicted model P13922: TM-score 0.98, RMSD 1.04 Å
- 1J3K chain D against the predicted model P13922: TM-score 0.98, RMSD 1.04 Å
- 1J3I chain C against the predicted model P13922: TM-score 0.98, RMSD 0.99 Å
- 1J3I chain C against the predicted model P13922: TM-score 0.98, RMSD 0.99 Å
- 1J3I chain D against the predicted model P13922: TM-score 0.98, RMSD 1.01 Å
- 1J3I chain D against the predicted model P13922: TM-score 0.98, RMSD 1.01 Å
- 1J3K chain C against the predicted model P13922: TM-score 0.98, RMSD 1.05 Å
- 1J3K chain C against the predicted model P13922: TM-score 0.98, RMSD 1.05 Å
Elsewhere
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