4UYM
Crystal structure of sterol 14-alpha demethylase (CYP51B) from a pathogenic filamentous fungus Aspergillus fumigatus in complex with voriconazole
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | 14-ALPHA STEROL DEMETHYLASE | polymer | 470 | 53249.8 | 2 | UniProt (Q96W81) Pfam (PF00067) UniProt (by SIFTS) (E9QY26) In PDB | ASPERGILLUS FUMIGATUS | STEROL 14-ALPHA DEMETHYLASE, CYP51B |
2 | A, B | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 2 | Chemie (HEM) | |||
3 | A, B | Voriconazole | non-polymer | 349.3 | 2 | Chemie (VOR) | |||
4 | water | water | 18.0 | 163 | 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 | 1931.6 | |
All* | Total formula weight | 108431.2 |