4H6O
Sterol 14-alpha demethylase (CYP51)from Trypanosoma cruzi in complex with the inhibitor NEU321 (1-(3-(4-chloro-3,5-dimethylphenoxy)benzyl)-1H-imidazole
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Sterol 14-alpha demethylase | polymer | 461 | 52684.1 | 1 | UniProt (Q7Z1V1) Pfam (PF00067) | Trypanosoma cruzi | Tc14DM, CYP51 |
| 2 | B (A) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 1 | Chemie (HEM) | |||
| 3 | C (A) | 1-[3-(4-chloro-3,5-dimethylphenoxy)benzyl]-1H-imidazole | non-polymer | 312.8 | 1 | Chemie (NEE) | |||
| 4 | D (A) | water | water | 18.0 | 55 | Chemie (HOH) |
Sequence modifications
A: 29 - 481 (UniProt: Q7Z1V1)
| PDB | External Database | Details |
|---|---|---|
| Met 27 | - | initiating methionine |
| Ala 28 | Arg 28 | engineered mutation |
| Lys 29 | Pro 29 | engineered mutation |
| Lys 30 | Thr 30 | engineered mutation |
| His 482 | - | expression tag |
| His 483 | - | expression tag |
| His 484 | - | expression tag |
| His 485 | - | expression tag |
| His 486 | - | expression tag |
| His 487 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 52684.1 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 929.3 | |
| All* | Total formula weight | 53613.4 |
