5FRB
Crystal structure of sterol 14-alpha demethylase (CYP51B) from a pathogenic filamentous fungus Aspergillus fumigatus in complex with a tetrazole-based inhibitor VT-1598
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, CYP51B | polymer | 473 | 53581.3 | 1 | UniProt (A0A0J5PJX1) Pfam (PF00067) UniProt (by SIFTS) (E9QY26) | ASPERGILLUS FUMIGATUS | |
| 2 | B (A) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 1 | Chemie (HEM) | |||
| 3 | C (A) | (R)-4-((4-((6-(2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1H-tetrazol-1-yl)propyl)pyridin-3-yl)ethynyl)phenoxy)methyl)benzonitrile | non-polymer | 586.5 | 1 | Chemie (VT2) |
Sequence modifications
A: 48 - 518 (UniProt: A0A0J5PJX1)
| PDB | External Database | Details |
|---|---|---|
| Met 47 | - | expression tag |
| Ala 48 | - | expression tag |
| Lys 49 | - | expression tag |
| 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 | 1 |
| Total formula weight | 53581.3 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1203.0 | |
| All* | Total formula weight | 54784.3 |
