3GW9
Crystal structure of sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei bound to an inhibitor N-(1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxaziazol-2-yl)benzamide
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 (A, B, C, D) | STEROL 14ALPHA-DEMETHYLASE | polymer | 450 | 51018.3 | 4 | UniProt (Q385E8) Pfam (PF00067) | Trypanosoma brucei | |
| 2 | E, G, I, K (A, B, C, D) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 4 | Chemie (HEM) | |||
| 3 | F, H, J, L (A, B, C, D) | N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide | non-polymer | 504.4 | 4 | Chemie (VNI) | |||
| 4 | M, N, O, P (A, B, C, D) | water | water | 18.0 | 691 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 28 - 477 (UniProt: Q385E8)
| PDB | External Database | Details |
|---|---|---|
| Lys 28 | Arg 28 | engineered mutation |
| 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 | 204073.0 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 4483.4 | |
| All* | Total formula weight | 208556.4 |
