3ZG2
Sterol 14 alpha-demethylase (CYP51) from Trypanosoma cruzi in complex with the pyridine inhibitor (S)-2-(4-chlorophenyl)-2-(pyridin-3-yl)-1- (4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)ethanone (EPL-BS1246,UDO)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | STEROL 14-ALPHA DEMETHYLASE | polymer | 460 | 52552.9 | 1 | UniProt (Q7Z1V1) Pfam (PF00067) In PDB | TRYPANOSOMA CRUZI | CYP51, TC14DM, CYTOCHROME P450 51 |
| 2 | A | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 1 | Chemie (HEM) | |||
| 3 | A | (S)-2-(4-chlorophenyl)-2-pyridin-3-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone | non-polymer | 459.9 | 1 | Chemie (UDO) | |||
| 4 | water | water | 18.0 | 13 | Chemie (HOH) |
Sequence modifications
A: 28 - 481 (UniProt: Q7Z1V1)
| PDB | External Database | Details |
|---|---|---|
| Ala 28 | Arg 28 | engineered mutation |
| Lys 29 | Pro 29 | engineered mutation |
| 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 | 52552.9 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1076.4 | |
| All* | Total formula weight | 53629.3 |
