4I4G
Crystal structure of CYP3A4 ligated to oxazole-substituted desoxyritonavir
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Cytochrome P450 3A4 | polymer | 487 | 55757.8 | 1 | UniProt (P08684) Pfam (PF00067) In PDB | Homo sapiens (human) | 1,8-cineole 2-exo-monooxygenase, 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 | A | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 1 | Chemie (HEM) | |||
| 3 | A | N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2R,5R)-5-{[(1,3-oxazol-5-ylmethoxy)carbonyl]amino}-1,6-diphenylhexan-2-yl]-L-valinamide | non-polymer | 688.9 | 1 | Chemie (Z8Z) | |||
| 4 | water | water | 18.0 | 5 | Chemie (HOH) |
Sequence modifications
A: 21 - 503 (UniProt: P08684)
| PDB | External Database | Details |
|---|---|---|
| - | Leu 3 | deletion |
| - | Ile 4 | deletion |
| - | Pro 5 | deletion |
| - | Asp 6 | deletion |
| - | Leu 7 | deletion |
| - | Ala 8 | deletion |
| - | Met 9 | deletion |
| - | Glu 10 | deletion |
| - | Thr 11 | deletion |
| - | Trp 12 | deletion |
| - | Leu 13 | deletion |
| - | Leu 14 | deletion |
| - | Leu 15 | deletion |
| - | Ala 16 | deletion |
| - | Val 17 | deletion |
| - | Ser 18 | deletion |
| - | Leu 19 | deletion |
| - | Val 20 | deletion |
| - | Leu 21 | deletion |
| - | Leu 22 | deletion |
| 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 | 1305.4 | |
| All* | Total formula weight | 57063.2 |
