3IBD
Crystal structure of a cytochrome P450 2B6 genetic variant in complex with the inhibitor 4-(4-chlorophenyl)imidazole
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 2B6 | polymer | 476 | 54646.0 | 1 | UniProt (P20813) Pfam (PF00067) | Homo sapiens (human) | CYPIIB6, P450 IIB1 |
| 2 | B (A) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 1 | Chemie (HEM) | |||
| 3 | C (A) | 4-(4-CHLOROPHENYL)IMIDAZOLE | non-polymer | 178.6 | 1 | Chemie (CPZ) | |||
| 4 | D, E (A) | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE | non-polymer | 494.6 | 2 | Chemie (CM5) | |||
| 5 | F, G, H, I (A) | THIOCYANATE ION | non-polymer | 58.1 | 4 | Chemie (SCN) | |||
| 6 | J (A) | water | water | 18.0 | 176 | Chemie (HOH) |
Sequence modifications
A: 30 - 491 (UniProt: P20813)
| PDB | External Database | Details |
|---|---|---|
| Met 1 | - | expression tag |
| Ala 2 | - | expression tag |
| Lys 22 | - | expression tag |
| Lys 23 | - | expression tag |
| Thr 24 | - | expression tag |
| Ser 25 | - | expression tag |
| Ser 26 | - | expression tag |
| Lys 27 | - | expression tag |
| Gly 28 | - | expression tag |
| Lys 29 | - | expression tag |
| His 226 | Tyr 226 | engineered mutation |
| Arg 262 | Lys 262 | engineered mutation |
| His 492 | - | expression tag |
| His 493 | - | expression tag |
| His 494 | - | expression tag |
| His 495 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 54646.0 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 2016.6 | |
| All* | Total formula weight | 56662.6 |
