UniProt Q9Y6A2
Cholesterol 24-hydroxylase (Q9Y6A2)
Cholesterol 24-hydroxylase (UniProt Q9Y6A2), EC 1.14.14.25: 29 experimental structures and 1 predicted model on GenesisL1, 7 ligands bound, 35 pockets. Binding sites, druggability and experiment against prediction (TM-score) in…
- UniProt
- Q9Y6A2
- Protein
- Cholesterol 24-hydroxylase
- EC
- 1.14.14.25
- Experimental structures
- 29
- Predicted models
- 1
- Ligands
- 7
- Pockets
- 35 · 6 records with a druggable one
Structures
30 records of Q9Y6A2 in the MolNFT archive: 29 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2Q9F | Crystal structure of human cytochrome P450 46A1 in complex with cholesterol-3-sulphate | x-ray diffraction | A | — | — |
| 2Q9F | Crystal structure of human cytochrome P450 46A1 in complex with cholesterol-3-sulphate | x-ray diffraction | A | — | — |
| 2Q9G | Crystal structure of human cytochrome P450 46A1 | x-ray diffraction | A | — | — |
| 2Q9G | Crystal structure of human cytochrome P450 46A1 | x-ray diffraction | A | — | — |
| 3MDM | Thioperamide complex of Cytochrome P450 46A1 | x-ray diffraction | A | — | — |
| 3MDM | Thioperamide complex of cytochrome P450 46A1 | x-ray diffraction | A | — | — |
| 3MDR | Tranylcypromine complex of Cytochrome P450 46A1 | x-ray diffraction | A, B | — | — |
| 3MDR | Tranylcypromine complex of cytochrome P450 46A1 | x-ray diffraction | A, B | — | — |
| 3MDT | Voriconazole complex of Cytochrome P450 46A1 | x-ray diffraction | A, B | — | — |
| 3MDT | Voriconazole complex of cytochrome P450 46A1 | x-ray diffraction | A, B | — | — |
| 3MDV | Clotrimazole complex of Cytochrome P450 46A1 | x-ray diffraction | A, B | — | — |
| 3MDV | Clotrimazole complex of cytochrome P450 46A1 | x-ray diffraction | A, B | — | — |
| 4ENH | Crystal Structure of Human Cytochrome P450 CYP46A1 with Fluvoxamine Bound | x-ray diffraction | A | — | — |
| 4ENH | Crystal structure of human cytochrome P450 CYP46A1 with fluvoxamine bound | x-ray diffraction | A | — | — |
| 4FIA | Crystal Structure of Human CYP46A1 P450 with bicalutamide Bound | x-ray diffraction | A | — | — |
| 4FIA | Crystal structure of human CYP46A1 P450 with bicalutamide bound | x-ray diffraction | A | — | — |
| 4J14 | Crystal Structure of Human Cytochrome P450 CYP46A1 with Posaconazole Bound | x-ray diffraction | A | — | — |
| 4J14 | Crystal structure of human cytochrome P450 CYP46A1 with posaconazole bound | x-ray diffraction | A | — | — |
| 7LRL | Co-complex CYP46A1 with 7742 (Soticlestat/TAK-935)) | x-ray diffraction | A | HEM, YBS | 6 (best 0.86) |
| 7LRL | Co-complex CYP46A1 with 7742 (SOTICLESTAT/TAK-935)) | x-ray diffraction | A | HEM, YBS | — |
| 7LS3 | Co-complex CYP46A1 with 8114 (3f) | x-ray diffraction | A | HEM, YCJ | 5 (best 0.86) |
| 7LS3 | Co-complex CYP46A1 with 8114 (3F) | x-ray diffraction | A | HEM, YCJ | — |
| 7LS4 | Co-complex CYP46A1 with 9129 (1b) | x-ray diffraction | A | HEM, YCG | 5 (best 0.86) |
| 7LS4 | Co-complex CYP46A1 with 9129 (1B) | x-ray diffraction | A | HEM, YCG | — |
| 7N3L | Co-complex CYP46A1 with 0420 (compound 6) | x-ray diffraction | A | HEM, 04Y | 6 (best 0.84) |
| 7N3L | Co-complex CYP46A1 with 0420 (compound 6) | x-ray diffraction | A | HEM, 04Y | — |
| 7N3M | Co-complex CYP46A1 with 0431 (compound 17) | x-ray diffraction | AAA | HEM, 05D | 7 (best 0.86) |
| 7N6F | Co-complex CYP46A1 with compound 3f | x-ray diffraction | A | HEM, 0I1 | 6 (best 0.84) |
| 7N6F | Co-complex CYP46A1 with compound 3F | x-ray diffraction | A | HEM, 0I1 | — |
| Q9Y6A2 | AlphaFold monomer V2.0 prediction for cholesterol 24-hydroxylase (Q9Y6A2) | predicted | A | — | — |
Ligands
- HEM · Protoporphyrin IX containing Fe · in 11 records
- 04Y · N-cyclopropyl-1-(4-phenylpyridin-3-yl)piperidine-4-carboxamide · in 2 records
- 0I1 · (3-fluoroazetidin-1-yl){1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl}methanone · in 2 records
- YBS · [4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]-(2-pyridin-4-ylpyridin-3-yl)methanone · in 2 records
- YCG · [5,5-dimethyl-3-(2-methylphenyl)-4~{H}-pyrazol-1-yl]-pyridin-4-yl-methanone · in 2 records
- YCJ · (5-methyl-2-pyridin-4-yl-phenyl)-[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]methanone · in 2 records
- 05D · N,N-dimethyl-1-[4-(4-methyl-1H-pyrazol-1-yl)pyridin-3-yl]piperidine-4-carboxamide · in 1 record
Experiment against prediction
- 7LS3 chain A against the predicted model Q9Y6A2: TM-score 0.99, RMSD 0.69 Å
- 7LS3 chain A against the predicted model Q9Y6A2: TM-score 0.99, RMSD 0.69 Å
- 7LRL chain A against the predicted model Q9Y6A2: TM-score 0.99, RMSD 0.76 Å
- 7LRL chain A against the predicted model Q9Y6A2: TM-score 0.99, RMSD 0.76 Å
- 7LS4 chain A against the predicted model Q9Y6A2: TM-score 0.99, RMSD 0.73 Å
- 7LS4 chain A against the predicted model Q9Y6A2: TM-score 0.99, RMSD 0.73 Å
- 3MDR chain B against the predicted model Q9Y6A2: TM-score 0.99, RMSD 0.89 Å
- 3MDR chain B against the predicted model Q9Y6A2: TM-score 0.99, RMSD 0.89 Å
- 3MDR chain A against the predicted model Q9Y6A2: TM-score 0.99, RMSD 0.89 Å
- 3MDR chain A against the predicted model Q9Y6A2: TM-score 0.99, RMSD 0.89 Å
Elsewhere
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