3KSW
Crystal structure of sterol 14alpha-demethylase (CYP51) from Trypanosoma cruzi in complex with an inhibitor VNF ((4-(4-chlorophenyl)-N-[2-(1H-imidazol-1-yl)-1-phenylethyl]benzamide)
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 | polymer | 458 | 52352.6 | 1 | UniProt (Q5I4E1) Pfam (PF00067) UniProt (by SIFTS) (Q7Z1V1) | Trypanosoma cruzi | |
| 2 | B (A) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 1 | Chemie (HEM) | |||
| 3 | C (A) | 4'-chloro-N-[(1R)-2-(1H-imidazol-1-yl)-1-phenylethyl]biphenyl-4-carboxamide | non-polymer | 401.9 | 1 | Chemie (VNF) |
Sequence modifications
A: 30 - 481 (UniProt: Q5I4E1)
| PDB | External Database | Details |
|---|---|---|
| Lys 30 | Thr 30 | engineered mutation |
| Thr 31 | Asp 31 | engineered mutation |
| His 482 | - | expression tag |
| His 483 | - | expression tag |
| His 484 | - | expression tag |
| His 485 | - | expression tag |
| His 486 | - | expression tag |
| His 487 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 52352.6 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1018.4 | |
| All* | Total formula weight | 53371.0 |
