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 (A, B) | Cytochrome P450 2B6 | polymer | 476 | 54646.0 | 2 | UniProt (P20813) Pfam (PF00067) | Homo sapiens (human) | 1,4-cineole 2-exo-monooxygenase, CYPIIB6, Cytochrome P450 IIB1 |
| 2 | C, J (A, B) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 2 | Chemie (HEM) | |||
| 3 | D, K (A, B) | (+)-3-carene | non-polymer | 136.2 | 2 | Chemie (3V4) PubChem (105050) PubChem (53695969) PubChem (53695970) PubChem (442461) PubChem (443156) PubChem (26049) PubChem (92170109) PubChem (12302455) | |||
| 4 | E, F, G, L, M... (A, B) | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE | non-polymer | 494.6 | 6 | Chemie (CM5) PubChem (58112563) PubChem (44483217) PubChem (46897875) PubChem (70796429) PubChem (70839941) PubChem (70863059) PubChem (59518660) PubChem (68343857) PubChem (89951995) PubChem (73659147) PubChem (5142094) PubChem (5327073) PubChem (92132104) PubChem (126731025) PubChem (126735874) PubChem (133612054) | |||
| 5 | H, I (A) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) PubChem (753) | |||
| 6 | O, P (A, B) | 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 |
