UniProt Q7Z1V1
Sterol 14-alpha demethylase (Q7Z1V1)
Sterol 14-alpha demethylase (UniProt Q7Z1V1), EC 1.14.13.70: 20 experimental structures and 1 predicted model on GenesisL1, 12 ligands bound, 158 pockets. Binding sites, druggability and experiment against prediction (TM-score)…
- UniProt
- Q7Z1V1
- Protein
- Sterol 14-alpha demethylase
- EC
- 1.14.13.70
- Experimental structures
- 20
- Predicted models
- 1
- Ligands
- 12
- Pockets
- 158 · 20 records with a druggable one
Structures
21 records of Q7Z1V1 in the MolNFT archive: 20 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2WX2 | X-ray structure of CYP51 from the human pathogen trypanosoma cruzi in complex with fluconazole | x-ray diffraction | A, B | HEM, TPF | 10 (best 0.89) |
| 2WX2 | X-ray structure of CYP51 from the human pathogen trypanosoma cruzi in complex with fluconazole | x-ray diffraction | A, B | HEM, TPF | 10 (best 0.89) |
| 3ZG2 | Sterol 14 alpha-demethylase (CYP51) from Trypanosoma cruzi in complex with the pyridine inhibitor… | x-ray diffraction | A | HEM, UDO | 7 (best 0.86) |
| 3ZG2 | Sterol 14 alpha-demethylase (CYP51) from trypanosoma cruzi in complex with the pyridine inhibitor… | x-ray diffraction | A | HEM, UDO | 7 (best 0.86) |
| 3ZG3 | STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH THE PYRIDINE INHIBITOR… | x-ray diffraction | A | HEM, UDD | 4 (best 0.85) |
| 3ZG3 | Sterol 14-alpha demethylase (CYP51)FROM trypanosoma cruzi in complex with the pyridine inhibitor… | x-ray diffraction | A | HEM, UDD | 4 (best 0.85) |
| 4BMM | Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor… | x-ray diffraction | A, B, C, D | HEM, TU1 | 17 (best 0.87) |
| 4BMM | Crystal structure of trypanosoma cruzi CYP51 bound to the inhibitor… | x-ray diffraction | A, B, C, D | HEM, TU1 | 17 (best 0.87) |
| 4C28 | Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor… | x-ray diffraction | A, B | HEM, TW5, CL | 7 (best 0.86) |
| 4C28 | Crystal structure of trypanosoma cruzi CYP51 bound to the inhibitor… | x-ray diffraction | A, B | HEM, TW5, CL | 7 (best 0.86) |
| 4CK8 | STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH… | x-ray diffraction | A, B | HEM, LFD | 16 (best 0.86) |
| 4CK8 | Sterol 14-alpha demethylase (CYP51)FROM trypanosoma cruzi in complex with… | x-ray diffraction | A, B | HEM, LFD | 16 (best 0.86) |
| 4CK9 | STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH… | x-ray diffraction | A | HEM, LFT | 4 (best 0.86) |
| 4CK9 | Sterol 14-alpha demethylase (CYP51)FROM trypanosoma cruzi in complex with… | x-ray diffraction | A | HEM, LFT | 4 (best 0.86) |
| 4CKA | STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH… | x-ray diffraction | A | HEM, LFS | 5 (best 0.86) |
| 4CKA | Sterol 14-alpha demethylase (CYP51)FROM trypanosoma cruzi in complex with… | x-ray diffraction | A | HEM, LFS | 5 (best 0.86) |
| 4H6O | Sterol 14-alpha demethylase (CYP51)from Trypanosoma cruzi in complex with the inhibitor NEU321… | x-ray diffraction | A | HEM, NEE | 4 (best 0.86) |
| 4H6O | Sterol 14-alpha demethylase (CYP51)FROM trypanosoma cruzi in complex with the inhibitor NEU321… | x-ray diffraction | A | HEM, NEE | 4 (best 0.86) |
| 5AJR | Sterol 14-alpha demethylase (CYP51) from Trypanosoma cruzi in complex with the 1-tetrazole… | x-ray diffraction | A | HEM, VT1 | 5 (best 0.86) |
| 5AJR | Sterol 14-alpha demethylase (CYP51) from trypanosoma cruzi in complex with the 1-tetrazole… | x-ray diffraction | A | HEM, VT1 | 5 (best 0.86) |
| Q7Z1V1 | AlphaFold monomer V2.0 prediction for sterol 14-alpha demethylase (Q7Z1V1) | predicted | A | — | — |
Ligands
- HEM · Protoporphyrin IX containing Fe · in 20 records
- CL · Chloride ion · in 2 records
- LFD · (1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl {4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phenyl}carbamate · in 2 records
- LFS · (1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 4-isopropylphenylcarbamate · in 2 records
- LFT · (1S)-1-(4-chlorophenyl)-2-(1H-imidazol-1-yl)ethyl [4-(propan-2-yl)phenyl]carbamate · in 2 records
- NEE · 1-[3-(4-chloro-3,5-dimethylphenoxy)benzyl]-1H-imidazole · in 2 records
- TPF · 2-(2,4-difluorophenyl)-1,3-di(1h-1,2,4-triazol-1-yl)propan-2-ol · in 2 records
- TU1 · 4-[2,5-bis(fluoranyl)phenyl]-2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide · in 2 records
- TW5 · (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(4-chlorophenyl)piperazin-1-yl)-2-fluorobenzamide · in 2 records
- UDD · N-[4-(trifluoromethyl)phenyl]-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]pyridin-3-amine · in 2 records
- UDO · (S)-2-(4-chlorophenyl)-2-pyridin-3-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone · in 2 records
- VT1 · (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol · in 2 records
Experiment against prediction
- 4CK8 chain A against the predicted model Q7Z1V1: TM-score 0.99, RMSD 0.75 Å
- 4CK8 chain A against the predicted model Q7Z1V1: TM-score 0.99, RMSD 0.75 Å
- 4CKA chain A against the predicted model Q7Z1V1: TM-score 0.99, RMSD 0.73 Å
- 4CKA chain A against the predicted model Q7Z1V1: TM-score 0.99, RMSD 0.73 Å
- 4BMM chain A against the predicted model Q7Z1V1: TM-score 0.99, RMSD 0.74 Å
- 4BMM chain A against the predicted model Q7Z1V1: TM-score 0.99, RMSD 0.74 Å
- 4CK8 chain B against the predicted model Q7Z1V1: TM-score 0.99, RMSD 0.83 Å
- 4CK8 chain B against the predicted model Q7Z1V1: TM-score 0.99, RMSD 0.83 Å
- 4BMM chain B against the predicted model Q7Z1V1: TM-score 0.99, RMSD 0.77 Å
- 4BMM chain B against the predicted model Q7Z1V1: TM-score 0.99, RMSD 0.77 Å
Elsewhere
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