4RRT
Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with (+)-3-carene
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Cytochrome P450 2B6 | polymer | 476 | 54646.0 | 2 | UniProt (P20813) Pfam (PF00067) In PDB | Homo sapiens (human) | 1,4-cineole 2-exo-monooxygenase, CYPIIB6, Cytochrome P450 IIB1 |
2 | A, B | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 2 | Chemie (HEM) | |||
3 | A, B | (+)-3-carene | non-polymer | 136.2 | 2 | Chemie (3V4) | |||
4 | A, B | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE | non-polymer | 494.6 | 6 | Chemie (CM5) | |||
5 | A | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
6 | water | water | 18.0 | 459 | Chemie (HOH) |
Sequence modifications
A, B: 20 - 491 (UniProt: P20813)
PDB | External Database | Details |
---|---|---|
Ala 21 | Glu 2 | engineered mutation |
- | Leu 3 | deletion |
- | Ser 4 | deletion |
- | Val 5 | deletion |
- | Leu 6 | deletion |
- | Leu 7 | deletion |
- | Phe 8 | deletion |
- | Leu 9 | deletion |
- | Ala 10 | deletion |
- | Leu 11 | deletion |
- | Leu 12 | deletion |
- | Thr 13 | deletion |
- | Gly 14 | deletion |
- | Leu 15 | deletion |
- | Leu 16 | deletion |
- | Leu 17 | deletion |
- | Leu 18 | deletion |
- | Leu 19 | deletion |
- | Val 20 | deletion |
- | Gln 21 | deletion |
Lys 22 | Arg 22 | engineered mutation |
Lys 23 | His 23 | engineered mutation |
Thr 24 | Pro 24 | engineered mutation |
Ser 25 | Asn 25 | engineered mutation |
Ser 26 | Thr 26 | engineered mutation |
Lys 27 | His 27 | engineered mutation |
Lys 29 | Asp 29 | engineered mutation |
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 | 2 |
Total formula weight | 109292.0 | |
Non-Polymers* | Number of molecules | 12 |
Total formula weight | 4657.1 | |
All* | Total formula weight | 113949.1 |