UniProt P17117
Oxygen-insensitive NADPH nitroreductase (P17117)
Oxygen-insensitive NADPH nitroreductase (UniProt P17117), EC 1.-.-.-, 1.5.1.38: 15 experimental structures and 1 predicted model on GenesisL1, 8 ligands bound, 38 pockets. Binding sites, druggability and experiment against…
- UniProt
- P17117
- Protein
- Oxygen-insensitive NADPH nitroreductase
- EC
- 1.-.-.-, 1.5.1.38
- Experimental structures
- 15
- Predicted models
- 1
- Ligands
- 8
- Pockets
- 38 · 2 records with a druggable one
Structures
16 records of P17117 in the MolNFT archive: 15 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1F5V | Structure and site-directed mutagenesis of a flavoprotein from escherichia COLI that reduces… | x-ray diffraction | A, B | — | — |
| 1F5V | Structure and site-directed mutagenesis of a flavoprotein from escherichia COLI that reduces… | x-ray diffraction | A, B | — | — |
| 7NB9 | E. coli NfsA with nitrofurantoin | x-ray diffraction | A | FMN, U6Z | — |
| 7NB9 | E. COLI nfsa with nitrofurantoin | x-ray diffraction | A | FMN, U6Z | — |
| 7NIY | E. coli NfsA with FMN | x-ray diffraction | A | HQE, FMN, CL | 1 (best 0.40) |
| 7NIY | E. COLI nfsa with FMN | x-ray diffraction | A | HQE, FMN | — |
| 7NMP | E. coli NfsA with hydroqui | x-ray diffraction | A | FMN, CL, HQE | 1 (best 0.33) |
| 7NMP | E. COLI nfsa with hydroquinone | x-ray diffraction | A | FMN, HQE | — |
| 7NNX | E. coli NfsA with 1,4-benzoqui | x-ray diffraction | A | HQE, FMN, CL, PLQ | — |
| 7NNX | E. COLI nfsa with 1,4-benzoquinone | x-ray diffraction | A | HQE, FMN, PLQ | — |
| 7Q0O | E. coli NfsA | x-ray diffraction | A | FMN | — |
| 7Q0O | E. COLI nfsa | x-ray diffraction | A | FMN | — |
| 7Z0W | E. coli NfsA bound to NADP+ | x-ray diffraction | A, B, C, D, E, F, G, H | FMN, ATR, MG | 17 (best 0.77) |
| 7Z0W | E. COLI nfsa bound to NADP+ | x-ray diffraction | A, B, C, D, E, F, G, H | FMN, ATR, MG | 17 (best 0.77) |
| 8AJX | E. coli NfsA with Fumarate | x-ray diffraction | A | FMN, FUM | 1 (best 0.31) |
| P17117 | AlphaFold monomer V2.0 prediction for oxygen-insensitive NADPH nitroreductase (P17117) | predicted | A | — | 1 (best 0.37) |
Ligands
- FMN · Flavin mononucleotide · in 13 records
- HQE · benzene-1,4-diol · in 6 records
- CL · Chloride ion · in 3 records
- ATR · 2'-monophosphoadenosine-5'-diphosphate · in 2 records
- MG · Magnesium ion · in 2 records
- PLQ · 1,4-benzoquinone · in 2 records
- U6Z · 1-[(~{E})-(5-nitrofuran-2-yl) methylideneamino]imidazolidine-2,4-dione · in 2 records
- FUM · Fumaric acid · in 1 record
Experiment against prediction
- 7Z0W chain G against the predicted model P17117: TM-score 0.99, RMSD 0.58 Å
- 7Z0W chain G against the predicted model P17117: TM-score 0.99, RMSD 0.58 Å
- 7Z0W chain E against the predicted model P17117: TM-score 0.99, RMSD 0.59 Å
- 7Z0W chain E against the predicted model P17117: TM-score 0.99, RMSD 0.59 Å
- 7NIY chain A against the predicted model P17117: TM-score 0.98, RMSD 0.79 Å
- 7NIY chain A against the predicted model P17117: TM-score 0.98, RMSD 0.79 Å
- 7Z0W chain B against the predicted model P17117: TM-score 0.98, RMSD 0.87 Å
- 7Z0W chain B against the predicted model P17117: TM-score 0.98, RMSD 0.87 Å
- 7Z0W chain A against the predicted model P17117: TM-score 0.98, RMSD 0.93 Å
- 7Z0W chain A against the predicted model P17117: TM-score 0.98, RMSD 0.93 Å
Elsewhere
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