7KS8
Crystal structure of human CYP3A4 with the caged inhibitor
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) | 1,4-cineole 2-exo-monooxygenase,8-cineole 2-exo-monooxygenase,Albendazole monooxygenase (sulfoxide-forming),Albendazole sulfoxidase,CYPIIIA3,CYPIIIA4,Cholesterol 25-hydroxylase,Cytochrome P450 3A3,Cytochrome P450 HLp,Cytochrome P450 NF-25,Cytochrome P450-PCN1,Nifedipine oxidase,Quinine 3-monooxygenase |
2 | A | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 1 | Chemie (HEM) | |||
3 | A | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
4 | A | (tert-butyl {1-[(3-oxo-3-{[(pyridin-3-yl-kappaN)methyl]amino}propyl)sulfanyl]-3-phenylpropan-2-yl}carbamate)(6,6'-dimethyl-2,2'-bipyridine-kappa~2~N~1~,N~1'~)(1~2~,2~2~:2~6~,3~2~-terpyridine-kappa~3~N~1^{1~},N~2^{1~},N~3^{1~})ruthenium | non-polymer | 948.2 | 1 | Chemie (X8S) |
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 | 3 |
Total formula weight | 1656.7 | |
All* | Total formula weight | 57414.5 |