6Q2T
Human sterol 14a-demethylase (CYP51) in complex with the functionally irreversible inhibitor (R)-N-(1-(3-chloro-4'-fluoro-[1,1'-biphenyl]-4-yl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-(3-fluoro-5-(5-fluoropyrimidin-4-yl)phenyl)-1,3,4-oxadiazol-2-yl)benzamide
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Lanosterol 14-alpha demethylase | polymer | 446 | 51052.5 | 2 | UniProt (Q16850) Pfam (PF00067) | Homo sapiens (Human) | LDM, CYPLI, Cytochrome P450 51A1, Cytochrome P450-14DM, Cytochrome P45014DM, Cytochrome P450LI, Sterol 14-alpha demethylase |
| 2 | C, N (A, B) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 2 | Chemie (HEM) | |||
| 3 | D, M, O (A, B) | N-[(1R)-1-(3-chloro-4'-fluoro[1,1'-biphenyl]-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-{5-[3-fluoro-5-(5-fluoropyrimidin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl}benzamide | non-polymer | 678.1 | 3 | Chemie (PJM) | |||
| 4 | E, F, G, H, I... (A) | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID | non-polymer | 392.6 | 8 | Chemie (DXC) | |||
| 5 | P, Q (A, B) | water | water | 18.0 | 29 | Chemie (HOH) |
Sequence modifications
A, B: 61 - 503 (UniProt: Q16850)
| PDB | External Database | Details |
|---|---|---|
| Gly 58 | - | expression tag |
| Lys 59 | - | expression tag |
| Leu 60 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 102105.1 | |
| Non-Polymers* | Number of molecules | 13 |
| Total formula weight | 6407.7 | |
| All* | Total formula weight | 108512.8 |
