4G3J
Sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei in complex with the VNI derivative (R)-N-(1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide [R-VNI-triazole (VNT)]
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D | sterol 14-alpha-demethylase | polymer | 448 | 50759.9 | 4 | UniProt (Q385E8) Pfam (PF00067) In PDB | Trypanosoma brucei | CYP51 |
| 2 | A, B, C, D | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 4 | Chemie (HEM) | |||
| 3 | A, B, C, D | N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide | non-polymer | 505.4 | 4 | Chemie (VNT) | |||
| 4 | water | water | 18.0 | 703 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 29 - 476 (UniProt: Q385E8)
| PDB | External Database | Details |
|---|---|---|
| Gly 29 | Pro 29 | engineered mutation |
| Lys 30 | Thr 30 | engineered mutation |
| Leu 31 | Asp 31 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 203039.6 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 4487.4 | |
| All* | Total formula weight | 207527.0 |
