4UYL
Crystal structure of sterol 14-alpha demethylase (CYP51B) from a pathogenic filamentous fungus Aspergillus fumigatus in complex with VNI
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | 14-ALPHA STEROL DEMETHYLASE | polymer | 470 | 53249.8 | 2 | UniProt (Q96W81) Pfam (PF00067) UniProt (by SIFTS) (E9QY26) | ASPERGILLUS FUMIGATUS | STEROL 14-ALPHA DEMETHYLASE, CYP51B |
| 2 | C, E (A, B) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 2 | Chemie (HEM) | |||
| 3 | D, F (A, B) | 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 | 2 | Chemie (VNI) | |||
| 4 | G, H (A, B) | water | water | 18.0 | 128 | Chemie (HOH) |
Sequence modifications
A, B: 50 - 518 (UniProt: Q96W81)
| PDB | External Database | Details |
|---|---|---|
| Lys 50 | His 50 | engineered mutation |
| Thr 51 | Glu 51 | engineered mutation |
| His 519 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 106499.6 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 2241.7 | |
| All* | Total formula weight | 108741.3 |
