UniProt P20813
Cytochrome P450 2B6 (P20813)
Cytochrome P450 2B6 (UniProt P20813), EC 1.14.13.-: 24 experimental structures and 1 predicted model on GenesisL1, 7 ligands bound, 38 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P20813
- Protein
- Cytochrome P450 2B6
- EC
- 1.14.13.-
- Experimental structures
- 24
- Predicted models
- 1
- Ligands
- 7
- Pockets
- 38 · 3 records with a druggable one
Structures
25 records of P20813 in the MolNFT archive: 24 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 3IBD | Crystal structure of a cytochrome P450 2B6 genetic variant in complex with the inhibitor… | x-ray diffraction | A | — | — |
| 3IBD | Crystal structure of a cytochrome P450 2B6 genetic variant in complex with the inhibitor… | x-ray diffraction | A | — | — |
| 3QOA | Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with the inhibitor… | x-ray diffraction | A | — | — |
| 3QOA | Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with the inhibitor… | x-ray diffraction | A | — | — |
| 3QU8 | Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with the inhibitor… | x-ray diffraction | A, B, C, D, E, F | — | — |
| 3QU8 | Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with the inhibitor… | x-ray diffraction | A, B, C, D, E, F | — | — |
| 3UA5 | Crystal Structure of P450 2B6 (Y226H/K262R) in complex with two molecules of Amlodipine | x-ray diffraction | A, B | — | — |
| 3UA5 | Crystal structure of P450 2B6 (Y226H/K262R) in complex with two molecules of amlodipine | x-ray diffraction | A, B | — | — |
| 4I91 | Crystal Structure of Cytochrome P450 2B6 (Y226H/K262R) in complex with alpha-Pinene. | x-ray diffraction | A | — | — |
| 4I91 | Crystal structure of cytochrome P450 2B6 (Y226H/K262R) in complex with alpha-pinene. | x-ray diffraction | A | — | — |
| 4RQL | Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with a monoterpene… | x-ray diffraction | A, B | — | — |
| 4RQL | Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with a monoterpene… | x-ray diffraction | A, B | — | — |
| 4RRT | Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with (+)-3-carene | x-ray diffraction | A, B | — | — |
| 4RRT | Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with (+)-3-carene | x-ray diffraction | A, B | — | — |
| 4ZV8 | Structure of CYP2B6 (Y226H/K262R) with additional mutation Y244W in complex with alpha-Pinene | x-ray diffraction | A | — | — |
| 4ZV8 | Structure of CYP2B6 (Y226H/K262R) with additional mutation Y244W in complex with alpha-pinene | x-ray diffraction | A | — | — |
| 5UAP | Crystal Structure of CYP2B6 (Y226H/K262R) in complex with Bornyl Bromide | x-ray diffraction | A, B | HEM, CM5, 82S | 11 (best 0.87) |
| 5UAP | Crystal structure of CYP2B6 (Y226H/K262R) in complex with bornyl bromide | x-ray diffraction | A, B | HEM, CM5, 82S | — |
| 5UDA | Crystal structure of CYP2B6 (Y226H/K262R) in complex with a monoterpene bornane | x-ray diffraction | A, B | HEM, CAE, CM5 | — |
| 5UEC | Crystal Structure of CYP2B6 (Y226H/K262R) in complex with myrtenyl bromide. | x-ray diffraction | A | HEM, CM5, 85D | 7 (best 0.86) |
| 5UEC | Crystal structure of CYP2B6 (Y226H/K262R) in complex with myrtenyl bromide. | x-ray diffraction | A | HEM, CM5, 85D | — |
| 5UFG | Crystal structure of CYP2B6 (Y226H/K262R/I114V) in complex with myrtenyl bromide | x-ray diffraction | A | HEM, CM5, 85D | — |
| 5WBG | Crystal Structure of human Cytochrome P450 2B6 (Y226H/K262R) in complex with an analog of a drug… | x-ray diffraction | A, B, C, D, E, F | HEM, 9ZJ, ZAZ, CM5 | 20 (best 0.88) |
| 5WBG | Crystal structure of human cytochrome P450 2B6 (Y226H/K262R) in complex with an analog of a drug… | x-ray diffraction | A, B, C, D, E, F | HEM, 9ZJ, ZAZ, CM5 | — |
| P20813 | AlphaFold monomer V2.0 prediction for cytochrome P450 2B6 (P20813) | predicted | A | — | — |
Ligands
- CM5 · 5-cyclohexyl-1-pentyl-beta-D-maltoside · in 8 records
- HEM · Protoporphyrin IX containing Fe · in 8 records
- 85D · (1S,5R)-2-(bromomethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene · in 3 records
- 82S · (1R,2R,4R)-2-bromo-1,7,7-trimethylbicyclo[2.2.1]heptane · in 2 records
- 9ZJ · (2R,4S)-6-chloro-4-(cyclopropylethynyl)-2-methyl-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine · in 2 records
- ZAZ · 5-cyclohexylpentan-1-ol · in 2 records
- CAE · Camphane · in 1 record
Experiment against prediction
- 3QU8 chain D against the predicted model P20813: TM-score 1.00, RMSD 0.49 Å
- 3QU8 chain D against the predicted model P20813: TM-score 1.00, RMSD 0.49 Å
- 3QU8 chain F against the predicted model P20813: TM-score 1.00, RMSD 0.50 Å
- 3QU8 chain F against the predicted model P20813: TM-score 1.00, RMSD 0.50 Å
- 5UDA chain B against the predicted model P20813: TM-score 1.00, RMSD 0.51 Å
- 5UDA chain A against the predicted model P20813: TM-score 1.00, RMSD 0.52 Å
- 4RRT chain A against the predicted model P20813: TM-score 1.00, RMSD 0.53 Å
- 4RRT chain A against the predicted model P20813: TM-score 1.00, RMSD 0.53 Å
- 4RRT chain B against the predicted model P20813: TM-score 1.00, RMSD 0.54 Å
- 4RRT chain B against the predicted model P20813: TM-score 1.00, RMSD 0.54 Å
Elsewhere
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