UniProt P00382
Dihydrofolate reductase type 1 (P00382)
Dihydrofolate reductase type 1 (UniProt P00382), EC 1.5.1.3: 3 experimental structures and 1 predicted model on GenesisL1, 5 ligands bound, 2 pockets. Binding sites, druggability and experiment against prediction (TM-score) in…
- UniProt
- P00382
- Protein
- Dihydrofolate reductase type 1
- EC
- 1.5.1.3
- Experimental structures
- 3
- Predicted models
- 1
- Ligands
- 5
- Pockets
- 2 · 1 record with a druggable one
Structures
4 records of P00382 in the MolNFT archive: 3 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 7REG | DfrA1 complexed with NADPH and 4'-chloro-3'-(4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl)-[1… | x-ray diffraction | A, B | 4SI, NAP, CA | 2 (best 0.70) |
| 7REG | DFRA1 complexed with NADPH and 4'-chloro-3'-(4-(2,4-diamino-6… | x-ray diffraction | A, B | 4SI, NAP, CA | — |
| 7RGJ | DFRA1 complexed with NADPH and 5-(3-(7-(4-(AMINOMETHYL)PHENYL)… | x-ray diffraction | A, B | NAP, CA, 8MU, 560 | — |
| P00382 | AlphaFold monomer V2.0 prediction for dihydrofolate reductase type 1 (P00382) | predicted | A | — | — |
Ligands
- CA · Calcium ion · in 3 records
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · in 3 records
- 4SI · 4'-chloro-3'-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl][1,1'-biphenyl]-4-carboxamide · in 2 records
- 560 · 5-[(3R)-3-{7-[4-(aminomethyl)phenyl]-2H-1,3-benzodioxol-5-yl}but-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine · in 1 record
- 8MU · 5-[(3S)-3-{7-[4-(aminomethyl)phenyl]-2H-1,3-benzodioxol-5-yl}but-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine · in 1 record
Experiment against prediction
- 7RGJ chain A against the predicted model P00382: TM-score 0.99, RMSD 0.40 Å
- 7REG chain B against the predicted model P00382: TM-score 0.99, RMSD 0.42 Å
- 7REG chain B against the predicted model P00382: TM-score 0.99, RMSD 0.42 Å
- 7REG chain A against the predicted model P00382: TM-score 0.99, RMSD 0.44 Å
- 7REG chain A against the predicted model P00382: TM-score 0.99, RMSD 0.44 Å
- 7RGJ chain B against the predicted model P00382: TM-score 0.99, RMSD 0.45 Å
Elsewhere
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