4BJK
CYP51 of Trypanosoma brucei bound to (S)-N-(3-(1H-indol-3-yl)-1-oxo-1- (pyridin-4-ylamino)propan-2-yl)-3,3'-difluoro-(1,1'-biphenyl)-4- carboxamide
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B, C, D | LANOSTEROL 14-ALPHA-DEMETHYLASE | polymer | 469 | 53001.6 | 4 | UniProt (Q385E8) Pfam (PF00067) In PDB | TRYPANOSOMA BRUCEI | STEROL 14-DEMETHYLASE CYP51 |
2 | A, B, C, D | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 4 | Chemie (HEM) | |||
3 | A, B, C, D | 3,3'-difluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]biphenyl-4-carboxamide | non-polymer | 496.5 | 4 | Chemie (18I) | |||
4 | water | water | 18.0 | 136 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 32 - 481 (UniProt: Q385E8)
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 |
Gly 29 | - | expression tag |
Lys 30 | - | expression tag |
Leu 31 | - | 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 |
His 488 | - | expression tag |
His 489 | - | expression tag |
Met 34 | Val 34 | engineered mutation |
Ala 249 | Glu 249 | engineered mutation |
Ala 250 | Glu 250 | engineered mutation |
Ala 251 | Glu 251 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 4 |
Total formula weight | 212006.3 | |
Non-Polymers* | Number of molecules | 8 |
Total formula weight | 4452.0 | |
All* | Total formula weight | 216458.3 |