3TJS
Crystal Structure of the complex between human cytochrome P450 3A4 and desthiazolylmethyloxycarbonyl ritonavir
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Cytochrome P450 3A4 | polymer | 487 | 55757.8 | 1 | UniProt (P08684) Pfam (PF00067) | Homo sapiens (human) | Albendazole monooxygenase, Albendazole sulfoxidase, CYPIIIA3, CYPIIIA4, Cytochrome P450 3A3, Cytochrome P450 HLp, Cytochrome P450 NF-25, Cytochrome P450-PCN1, Nifedipine oxidase, Quinine 3-monooxygenase, Taurochenodeoxycholate 6-alpha-hydroxylase |
| 2 | B (A) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 1 | Chemie (HEM) | |||
| 3 | C (A) | N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide | non-polymer | 579.8 | 1 | BIRD (PRD_001003) Chemie (D0R) | |||
| 4 | D (A) | water | water | 18.0 | 50 | Chemie (HOH) |
Sequence modifications
A: 23 - 503 (UniProt: P08684)
| PDB | External Database | Details |
|---|---|---|
| Met 21 | - | expression tag |
| Ala 22 | - | expression tag |
| His 504 | - | expression tag |
| His 505 | - | expression tag |
| His 506 | - | expression tag |
| His 507 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 55757.8 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1196.3 | |
| All* | Total formula weight | 56954.1 |
