4C28
Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(4-chlorophenyl)piperazin-1-yl)-2-fluorobenzamide.
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | STEROL 14-ALPHA DEMETHYLASE | polymer | 467 | 53300.7 | 2 | UniProt (Q7Z1V1) Pfam (PF00067) In PDB | TRYPANOSOMA CRUZI | TC14DM, CYTOCHROME P450 51, LANOSTEROL 14-ALPHA DEMETHYLASE, CYP51 |
2 | A, B | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 2 | Chemie (HEM) | |||
3 | A, B | (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(4-chlorophenyl)piperazin-1-yl)-2-fluorobenzamide | non-polymer | 597.1 | 2 | Chemie (TW5) | |||
4 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
5 | A | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
6 | water | water | 18.0 | 410 | Chemie (HOH) |
Sequence modifications
A, B: 29 - 481 (UniProt: Q7Z1V1)
PDB | External Database | Details |
---|---|---|
Met 21 | - | expression tag |
Ala 22 | - | expression tag |
Lys 23 | - | expression tag |
Lys 24 | - | expression tag |
Thr 25 | - | expression tag |
Ser 26 | - | expression tag |
Ser 27 | - | expression tag |
Lys 28 | - | expression tag |
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 | 2 |
Total formula weight | 106601.5 | |
Non-Polymers* | Number of molecules | 6 |
Total formula weight | 2524.7 | |
All* | Total formula weight | 109126.1 |