UniProt Q2YUF3
Ketol-acid reductoisomerase (NADP(+)) (Q2YUF3)
Ketol-acid reductoisomerase (NADP(+)) (UniProt Q2YUF3), EC 1.1.1.86: 8 experimental structures and 1 predicted model on GenesisL1, 11 ligands bound, 22 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- Q2YUF3
- Protein
- Ketol-acid reductoisomerase (NADP(+))
- EC
- 1.1.1.86
- Experimental structures
- 8
- Predicted models
- 1
- Ligands
- 11
- Pockets
- 22 · 4 records with a druggable one
Structures
9 records of Q2YUF3 in the MolNFT archive: 8 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 6AQJ | Crystal structures of Staphylococcus aureus ketol-acid reductoisomerase in complex with two… | x-ray diffraction | A, B | MG, 40E, NDP, HIO | 5 (best 0.75) |
| 6AQJ | Crystal structures of staphylococcus aureus ketol-acid reductoisomerase in complex with two… | x-ray diffraction | A, B | MG, 40E, NDP, HIO | — |
| 6BUL | Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase with hydroxyoxamate… | x-ray diffraction | A, B | MG, NAP, E9G, E9J | 6 (best 0.78) |
| 6BUL | Crystal structure of staphylococcus aureus ketol-acid reductoisomerase with hydroxyoxamate… | x-ray diffraction | A, B | MG, NAP, E9G, E9J | — |
| 6C55 | Crystal structure of Staphylococcus aureus Ketol-acid Reductosimerrase with hydroxyoxamate… | x-ray diffraction | A, B | MG, NAP, EKD, EKA | 6 (best 0.77) |
| 6C55 | Crystal structure of staphylococcus aureus ketol-acid reductosimerrase with hydroxyoxamate… | x-ray diffraction | A, B | MG, NAP, EKD, EKA | — |
| 6C5N | Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase with hydroxyoxamate… | x-ray diffraction | A, B | NDP, MG, EN4, 81B | 5 (best 0.75) |
| 6C5N | Crystal structure of staphylococcus aureus ketol-acid reductoisomerase with hydroxyoxamate… | x-ray diffraction | A, B | NDP, MG, EN4, 81B | — |
| Q2YUF3 | AlphaFold monomer V2.0 prediction for ketol-acid reductoisomerase (NADP(+)) (Q2YUF3) | predicted | A | — | — |
Ligands
- MG · Magnesium ion · in 8 records
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · in 4 records
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · in 4 records
- 40E · oxo(propan-2-ylamino)acetic acid · in 2 records
- 81B · (cyclopentylamino)(oxo)acetic acid · in 2 records
- E9G · {hydroxy[(1S)-1-phenylethyl]amino}(oxo)acetic acid · in 2 records
- E9J · oxo{[(1S)-1-phenylethyl]amino}acetic acid · in 2 records
- EKA · [cyclohexyl(hydroxy)amino](oxo)acetic acid · in 2 records
- EKD · (cyclohexylamino)(oxo)acetic acid · in 2 records
- EN4 · [cyclopentyl(hydroxy)amino](oxo)acetic acid · in 2 records
- HIO · N-hydroxy-N-isopropyloxamic acid · in 2 records
Experiment against prediction
- 6BUL chain A against the predicted model Q2YUF3: TM-score 0.99, RMSD 0.61 Å
- 6BUL chain A against the predicted model Q2YUF3: TM-score 0.99, RMSD 0.61 Å
- 6AQJ chain A against the predicted model Q2YUF3: TM-score 0.99, RMSD 0.63 Å
- 6AQJ chain A against the predicted model Q2YUF3: TM-score 0.99, RMSD 0.63 Å
- 6C55 chain A against the predicted model Q2YUF3: TM-score 0.99, RMSD 0.64 Å
- 6C55 chain A against the predicted model Q2YUF3: TM-score 0.99, RMSD 0.64 Å
- 6C5N chain A against the predicted model Q2YUF3: TM-score 0.99, RMSD 0.64 Å
- 6C5N chain A against the predicted model Q2YUF3: TM-score 0.99, RMSD 0.64 Å
- 6AQJ chain B against the predicted model Q2YUF3: TM-score 0.99, RMSD 0.67 Å
- 6C5N chain B against the predicted model Q2YUF3: TM-score 0.99, RMSD 0.70 Å
Elsewhere
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