9NNI
Crystal structure of CYP46A1 with cyclopropyl[(4M)-4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-1H-indol-1-yl]methanone (compound 2b)
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Cholesterol 24-hydroxylase | polymer | 474 | 54434.7 | 1 | UniProt (Q9Y6A2) Pfam (PF00067) | Homo sapiens (human) | CH24H,Cholesterol 24-monooxygenase,Cholesterol 24S-hydroxylase,Cytochrome P450 46A1 |
| 2 | B (A) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 1 | Chemie (HEM) | |||
| 3 | C (A) | cyclopropyl[(4M)-4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-1H-indol-1-yl]methanone | non-polymer | 320.3 | 1 | Chemie (A1BZC) | |||
| 4 | D (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 5 | E (A) | water | water | 18.0 | 328 | Chemie (HOH) |
Sequence modifications
A: 28 - 494 (UniProt: Q9Y6A2)
| PDB | External Database | Details |
|---|---|---|
| Met 21 | - | initiating methionine |
| His 22 | - | expression tag |
| His 23 | - | expression tag |
| His 24 | - | expression tag |
| His 25 | - | expression tag |
| His 26 | - | expression tag |
| His 27 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 54434.7 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 998.8 | |
| All* | Total formula weight | 55433.5 |
