UniProt Q84HF5
Kynurenine 3-monooxygenase (Q84HF5)
Kynurenine 3-monooxygenase (UniProt Q84HF5), EC 1.14.13.9: 44 experimental structures and 1 predicted model on GenesisL1, 18 ligands bound, 116 pockets. Binding sites, druggability and experiment against prediction (TM-score) in…
- UniProt
- Q84HF5
- Protein
- Kynurenine 3-monooxygenase
- EC
- 1.14.13.9
- Experimental structures
- 44
- Predicted models
- 1
- Ligands
- 18
- Pockets
- 116 · 16 records with a druggable one
Structures
45 records of Q84HF5 in the MolNFT archive: 44 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5FN0 | Crystal structure of Pseudomonas fluorescens kynurenine-3- monooxygenase (KMO) in complex with… | x-ray diffraction | A, B, C, D | FAD, JHY | 15 (best 0.85) |
| 5FN0 | Crystal structure of pseudomonas fluorescens kynurenine-3- monooxygenase (kmo) in complex with… | x-ray diffraction | A, B, C, D | — | — |
| 5MZC | Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with… | x-ray diffraction | A, B | FAD, CL, 8EQ | 8 (best 0.78) |
| 5MZC | Pseudomonas fluorescens kynurenine 3-monooxygenase (kmo) in complex with… | x-ray diffraction | A, B | FAD, CL, 8EQ | — |
| 5MZI | Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with… | x-ray diffraction | A, B | FAD, CL, FYK | 8 (best 0.78) |
| 5MZI | Pseudomonas fluorescens kynurenine 3-monooxygenase (kmo) in complex with… | x-ray diffraction | A, B | FAD, CL, FYK | — |
| 5MZK | Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with… | x-ray diffraction | A, B | FAD, CL, OK1 | 7 (best 0.81) |
| 5MZK | Pseudomonas fluorescens kynurenine 3-monooxygenase (kmo) in complex with… | x-ray diffraction | A, B | FAD, CL, OK1 | — |
| 5N7T | Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with… | x-ray diffraction | A, B | FAD, CL, JHY | 8 (best 0.79) |
| 5N7T | Pseudomonas fluorescens kynurenine 3-monooxygenase (kmo) in complex with… | x-ray diffraction | A, B | FAD, CL, JHY | — |
| 5NA5 | Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) apo structure | x-ray diffraction | A, B | FAD, CL | 6 (best 0.83) |
| 5NA5 | Pseudomonas fluorescens kynurenine 3-monooxygenase (kmo) apo structure | x-ray diffraction | A, B | FAD, CL | — |
| 5NAB | Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with… | x-ray diffraction | A, B | FAD, CL, 8RK | 7 (best 0.83) |
| 5NAB | Pseudomonas fluorescens kynurenine 3-monooxygenase (kmo) in complex with… | x-ray diffraction | A, B | FAD, CL, 8RK | — |
| 5NAE | Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with… | x-ray diffraction | A, B | FAD, 8R8 | 8 (best 0.82) |
| 5NAE | Pseudomonas fluorescens kynurenine 3-monooxygenase (kmo) in complex with… | x-ray diffraction | A, B | FAD, 8R8 | — |
| 5NAG | Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with… | x-ray diffraction | A, B | FAD, 8R5 | — |
| 5NAG | Pseudomonas fluorescens kynurenine 3-monooxygenase (kmo) in complex with… | x-ray diffraction | A, B | FAD, 8R5 | — |
| 5NAH | Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with… | x-ray diffraction | A, B | FAD, 8RB | 6 (best 0.84) |
| 5NAH | Pseudomonas fluorescens kynurenine 3-monooxygenase (kmo) in complex with… | x-ray diffraction | A, B | FAD, 8RB | — |
| 5NAK | Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with the enzyme substrate… | x-ray diffraction | A, B | FAD, CL | — |
| 5NAK | Pseudomonas fluorescens kynurenine 3-monooxygenase (kmo) in complex with the enzyme substrate… | x-ray diffraction | A, B | FAD, CL | — |
| 5X6P | Crystal structure of Pseudomonas fluorescens KMO | x-ray diffraction | A, B | FAD | 8 (best 0.83) |
| 5X6P | Crystal structure of pseudomonas fluorescens kmo | x-ray diffraction | A, B | FAD | — |
| 5X6Q | Crystal structure of Pseudomonas fluorescens KMO in complex with Ro 61-8048 | x-ray diffraction | A | FAD, 7ZR | — |
| 5X6Q | Crystal structure of pseudomonas fluorescens kmo in complex with ro 61-8048 | x-ray diffraction | A | FAD, 7ZR | — |
| 5Y66 | Crystal structure of Pseudomonas fluorescens Kynurenine 3-monooxygenase in complex with L-KYN and… | x-ray diffraction | A | FAD, 7ZR, KYN | 3 (best 0.80) |
| 5Y66 | Crystal structure of pseudomonas fluorescens kynurenine 3- monooxygenase in complex with L-kyn and… | x-ray diffraction | A | FAD, 7ZR | — |
| 5Y77 | Crystal structure of Pseudomonas fluorescens Kynurenine 3-monooxygenase in complex with L-KYN… | x-ray diffraction | A, B | FAD | — |
| 5Y77 | Crystal structure of pseudomonas fluorescens kynurenine 3- monooxygenase in complex with L-kyn… | x-ray diffraction | A, B | FAD | — |
| 5Y7A | Crystal structure of Pseudomonas fluorescens Kynurenine 3-monooxygenase in complex with L-KYN | x-ray diffraction | A | FAD, KYN | 3 (best 0.82) |
| 5Y7A | Crystal structure of pseudomonas fluorescens kynurenine 3- monooxygenase in complex with L-kyn | x-ray diffraction | A | FAD | — |
| 6FOX | The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with kynurenine | x-ray diffraction | A, B | FAD, CA, KYN | 6 (best 0.86) |
| 6FOX | The crystal structure of P.FLUORESCENS kynurenine 3-monooxygenase (kmo) in complex with kynurenine | x-ray diffraction | A, B | FAD, CA | — |
| 6FOY | The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive… | x-ray diffraction | A, B | FAD, E0T, CA | 7 (best 0.79) |
| 6FOY | The crystal structure of P.FLUORESCENS kynurenine 3-monooxygenase (kmo) in complex with competitive… | x-ray diffraction | A, B | FAD, E0T, CA | — |
| 6FOZ | The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive… | x-ray diffraction | A, B | FAD, E0H | 9 (best 0.82) |
| 6FOZ | The crystal structure of P.FLUORESCENS kynurenine 3-monooxygenase (kmo) in complex with competitive… | x-ray diffraction | A, B | FAD, E0H | — |
| 6FP0 | The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive… | x-ray diffraction | A, B | FAD, E0N | — |
| 6FP0 | The crystal structure of P.FLUORESCENS kynurenine 3-monooxygenase (kmo) in complex with competitive… | x-ray diffraction | A, B | FAD, E0N | — |
| 6FP1 | The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive… | x-ray diffraction | A, B | FAD, CL, E0Q | 7 (best 0.79) |
| 6FP1 | The crystal structure of P.FLUORESCENS kynurenine 3-monooxygenase (kmo) in complex with competitive… | x-ray diffraction | A, B | FAD, CL, E0Q | — |
| 6FPH | The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive… | x-ray diffraction | A, B | FAD, CL, E1W | — |
| 6FPH | The crystal structure of P.FLUORESCENS kynurenine 3-monooxygenase (kmo) in complex with competitive… | x-ray diffraction | A, B | FAD, CL, E1W | — |
| Q84HF5 | AlphaFold monomer V2.0 prediction for kynurenine 3-monooxygenase (Q84HF5) | predicted | A | — | — |
Ligands
- FAD · Flavin-adenine dinucleotide · in 43 records
- CL · Chloride ion · in 18 records
- 7ZR · 3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide · in 4 records
- CA · Calcium ion · in 4 records
- JHY · 3-(5,6-dichloro-2-oxobenzo[d]oxazol-3(2H)-yl)propanoic acid · in 3 records
- KYN · (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid · in 3 records
- 8EQ · 3-(5-chloranyl-6-ethoxy-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid · in 2 records
- 8R5 · 3-[5-chloranyl-6-[(1~{R})-1-pyridin-2-ylethoxy]-1,2-benzoxazol-3-yl]propanoic acid · in 2 records
- 8R8 · 3-[5-chloranyl-2-oxidanylidene-6-[(1~{R})-1-pyridin-2-ylethoxy]-1,3-benzoxazol-3-yl]propanoic acid · in 2 records
- 8RB · 3-[5-chloranyl-6-[(1~{R})-1-(6-methylpyridazin-3-yl) ethoxy]-1,2-benzoxazol-3-yl]propanoic acid · in 2 records
- 8RK · 3-(5-chloranyl-6-methyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid · in 2 records
- E0H · 5-(3,4-dichlorophenyl)furan-2-carboxylic acid · in 2 records
- E0N · (2~{R})-2-[[(2~{R})-5-chloranyl-1-methyl-2,3-dihydroindol-2-yl]carbonylamino]-2-cyclohexyl-ethanoic acid · in 2 records
- E0Q · 2-(6-chloranyl-5,7-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoic acid · in 2 records
- E0T · 5-[2,3-bis(chloranyl)phenyl]furan-2-carboxylic acid · in 2 records
- E1W · 6-chloranyl-5,7-dimethyl-4-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)-1,4-benzoxazin-3-one · in 2 records
- FYK · 3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid · in 2 records
- OK1 · 3-[5-chloro-6-(cyclobutylmethoxy)-2-oxo-2,3-dihydro-1, 3-benzoxazol-3-yl]propanoic acid · in 2 records
Experiment against prediction
- 5FN0 chain C against the predicted model Q84HF5: TM-score 0.99, RMSD 0.85 Å
- 5MZI chain A against the predicted model Q84HF5: TM-score 0.99, RMSD 0.97 Å
- 5MZI chain A against the predicted model Q84HF5: TM-score 0.99, RMSD 0.97 Å
- 5MZC chain A against the predicted model Q84HF5: TM-score 0.99, RMSD 0.99 Å
- 5MZC chain A against the predicted model Q84HF5: TM-score 0.99, RMSD 0.99 Å
- 5MZK chain A against the predicted model Q84HF5: TM-score 0.99, RMSD 1.03 Å
- 5MZK chain A against the predicted model Q84HF5: TM-score 0.99, RMSD 1.03 Å
- 5NAB chain A against the predicted model Q84HF5: TM-score 0.99, RMSD 1.02 Å
- 5NAB chain A against the predicted model Q84HF5: TM-score 0.99, RMSD 1.02 Å
- 6FPH chain A against the predicted model Q84HF5: TM-score 0.99, RMSD 0.98 Å
Elsewhere
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