UniProt P10635
Cytochrome P450 2D6 (P10635)
Cytochrome P450 2D6 (UniProt P10635), EC 1.14.14.1: 23 experimental structures and 1 predicted model on GenesisL1, 10 ligands bound, 20 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P10635
- Protein
- Cytochrome P450 2D6
- EC
- 1.14.14.1
- Experimental structures
- 23
- Predicted models
- 1
- Ligands
- 10
- Pockets
- 20 · 2 records with a druggable one
Structures
24 records of P10635 in the MolNFT archive: 23 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2F9Q | Crystal Structure of Human Cytochrome P450 2D6 | x-ray diffraction | A, B, C, D | — | — |
| 2F9Q | Crystal structure of human cytochrome P450 2D6 | x-ray diffraction | A, B, C, D | — | — |
| 3QM4 | Human Cytochrome P450 (CYP) 2D6 - Prinomastat Complex | x-ray diffraction | A, B | — | — |
| 3QM4 | Human cytochrome P450 (cyp) 2D6 - prinomastat complex | x-ray diffraction | A, B | — | — |
| 3TBG | Human cytochrome P450 2D6 with two thioridazines bound in active site | x-ray diffraction | A, B, C, D | — | — |
| 3TBG | Human cytochrome P450 2D6 with two thioridazines bound in active site | x-ray diffraction | A, B, C, D | — | — |
| 3TDA | Competitive replacement of thioridazine by prinomastat in crystals of cytochrome P450 2D6 | x-ray diffraction | A, B, C, D | — | — |
| 3TDA | Competitive replacement of thioridazine by prinomastat in crystals of cytochrome P450 2D6 | x-ray diffraction | A, B, C, D | — | — |
| 4WNT | Human cytochrome P450 2D6 ajmalicine complex | x-ray diffraction | A, B | — | — |
| 4WNU | Human cytochrome P450 2D6 quinidine complex | x-ray diffraction | A, B, C, D | — | — |
| 4WNV | Human Cytochrome P450 2D6 Quinine Complex | x-ray diffraction | A, B, C, D | — | — |
| 4WNV | Human cytochrome P450 2D6 quinine complex | x-ray diffraction | A, B, C, D | — | — |
| 4WNW | Human cytochrome P450 2D6 thioridazine complex | x-ray diffraction | A, B | — | — |
| 4XRY | Human Cytochrome P450 2D6 BACE1 Inhibitor 5 Complex | x-ray diffraction | A, B, C, D | — | — |
| 4XRY | Human cytochrome P450 2D6 BACE1 inhibitor 5 complex | x-ray diffraction | A, B, C, D | — | — |
| 4XRZ | Human Cytochrome P450 2D6 BACE1 Inhibitor 6 Complex | x-ray diffraction | A, B, C, D | HEM, SI6, ZN, NA | 12 (best 0.89) |
| 4XRZ | Human cytochrome P450 2D6 BACE1 inhibitor 6 complex | x-ray diffraction | A, B, C, D | — | — |
| 5TFT | Structure of cytochrome P450 2D6 (CYP2D6) BACE1 inhibitor complex | x-ray diffraction | A, B, C, D | HEM, ZN, P6U | — |
| 5TFU | Structure of cytochrome P450 2D6 (CYP2D6) BACE1 inhibitor complex | x-ray diffraction | A, B, C, D | HEM, ZN, P6M | — |
| 6CSB | V308E mutant of cytochrome P450 2D6 complexed with thioridazine | x-ray diffraction | A, B, C, D | HEM, RTZ, 2CV, ZN | — |
| 6CSB | V308E mutant of cytochrome P450 2D6 complexed with thioridazine | x-ray diffraction | A, B, C, D | HEM, RTZ, 2CV, ZN | — |
| 6CSD | V308E mutant of cytochrome P450 2D6 complexed with prinomastat | x-ray diffraction | A, B | HEM, PN0, CPS, ZN | 8 (best 0.88) |
| 6CSD | V308E mutant of cytochrome P450 2D6 complexed with prinomastat | x-ray diffraction | A, B | HEM, PN0, CPS, ZN | — |
| P10635 | AlphaFold monomer V2.0 prediction for cytochrome P450 2D6 (P10635) | predicted | A | — | — |
Ligands
- HEM · Protoporphyrin IX containing Fe · in 7 records
- ZN · Zinc ion · in 7 records
- 2CV · Hega-10 · in 2 records
- CPS · 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate · in 2 records
- PN0 · Prinomastat · in 2 records
- RTZ · 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine · in 2 records
- NA · Sodium ion · in 1 record
- P6M · (4S,6R)-4-[2,4-difluoro-5-({[1-(trifluoromethyl) cyclopropyl]amino}methyl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine · in 1 record
- P6U · (4S)-4-[2,4-difluoro-5-({[1-(trifluoromethyl) cyclopropyl]amino}methyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine · in 1 record
- SI6 · (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine · in 1 record
Experiment against prediction
- 5TFU chain B against the predicted model P10635: TM-score 1.00, RMSD 0.45 Å
- 4XRY chain C against the predicted model P10635: TM-score 1.00, RMSD 0.44 Å
- 4XRY chain C against the predicted model P10635: TM-score 1.00, RMSD 0.44 Å
- 5TFU chain A against the predicted model P10635: TM-score 1.00, RMSD 0.47 Å
- 4XRY chain B against the predicted model P10635: TM-score 1.00, RMSD 0.48 Å
- 4XRY chain B against the predicted model P10635: TM-score 1.00, RMSD 0.48 Å
- 5TFT chain B against the predicted model P10635: TM-score 1.00, RMSD 0.48 Å
- 4XRY chain A against the predicted model P10635: TM-score 1.00, RMSD 0.49 Å
- 4XRY chain A against the predicted model P10635: TM-score 1.00, RMSD 0.49 Å
- 5TFT chain C against the predicted model P10635: TM-score 1.00, RMSD 0.49 Å
Elsewhere
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