UniProt P11712
Cytochrome P450 2C9 (P11712)
Cytochrome P450 2C9 (UniProt P11712), EC 1.14.13.-, 1.14.13.48: 28 experimental structures and 1 predicted model on GenesisL1, 12 ligands bound, 67 pockets. Binding sites, druggability and experiment against prediction (TM-score)…
- UniProt
- P11712
- Protein
- Cytochrome P450 2C9
- EC
- 1.14.13.-, 1.14.13.48, 1.14.13.49, 1.14.13.80, 1.14.14.1, 1.14.14.51, 1.14.14.52, 1.14.14.53, 1.14.99.38
- Experimental structures
- 28
- Predicted models
- 1
- Ligands
- 12
- Pockets
- 67 · 12 records with a druggable one
Structures
29 records of P11712 in the MolNFT archive: 28 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1OG2 | Structure of human cytochrome P450 CYP2C9 | x-ray diffraction | A, B | HEC | 8 (best 0.87) |
| 1OG2 | Structure of human cytochrome P450 CYP2C9 | x-ray diffraction | A, B | — | — |
| 1OG5 | Structure of human cytochrome P450 CYP2C9 | x-ray diffraction | A, B | HEC, SWF | 8 (best 0.88) |
| 1OG5 | Structure of human cytochrome P450 CYP2C9 | x-ray diffraction | A, B | — | — |
| 1R9O | Crystal Structure of P4502C9 with Flurbiprofen bound | x-ray diffraction | A | HEM, FLP | 3 (best 0.85) |
| 1R9O | Crystal structure of P4502C9 with flurbiprofen bound | x-ray diffraction | A | — | — |
| 4NZ2 | Crystal structure of CYP2C9 in complex with an inhibitor | x-ray diffraction | A, B | — | — |
| 4NZ2 | Crystal structure of CYP2C9 in complex with an inhibitor | x-ray diffraction | A, B | — | — |
| 5A5I | Cytochrome 2C9 P450 inhibitor complex | x-ray diffraction | A | — | — |
| 5A5I | Cytochrome 2C9 P450 inhibitor complex | x-ray diffraction | A | — | — |
| 5A5J | Cytochrome 2C9 P450 inhibitor complex | x-ray diffraction | A | — | — |
| 5A5J | Cytochrome 2C9 P450 inhibitor complex | x-ray diffraction | A | — | — |
| 5K7K | Design and Optimization of Biaryl Ether Aryl Sulfonamides as Selective Inhibitors of NaV1.7… | x-ray diffraction | A | HEM, 6RJ | 5 (best 0.87) |
| 5K7K | Design and optimization of biaryl ether aryl sulfonamides as selective inhibitors of NAV1.7… | x-ray diffraction | A | HEM, 6RJ | — |
| 5W0C | Cytochrome P450 (CYP) 2C9 TCA007 Inhibitor Complex | x-ray diffraction | A | HEM, 9W6 | 3 (best 0.85) |
| 5W0C | Cytochrome P450 (cyp) 2C9 TCA007 inhibitor complex | x-ray diffraction | A | HEM, 9W6 | — |
| 5X23 | Crystal structure of CYP2C9 genetic variant A477T (*30) in complex with multiple losartan molecules | x-ray diffraction | A | HEM, LSN, PO4 | 4 (best 0.88) |
| 5X23 | Crystal structure of CYP2C9 genetic variant A477T (*30) in complex with multiple losartan molecules | x-ray diffraction | A | HEM, LSN, PO4 | — |
| 5X24 | Crystal structure of CYP2C9 genetic variant I359L (*3) in complex with multiple losartan molecules | x-ray diffraction | A | HEM, LSN, PO4 | 3 (best 0.89) |
| 5X24 | Crystal structure of CYP2C9 genetic variant I359L (*3) in complex with multiple losartan molecules | x-ray diffraction | A | HEM, LSN, PO4 | — |
| 5XXI | Crystal structure of CYP2C9 in complex with multiple losartan molecules | x-ray diffraction | A | LSN, HEM | 3 (best 0.88) |
| 5XXI | Crystal structure of CYP2C9 in complex with multiple losartan molecules | x-ray diffraction | A | LSN, HEM | — |
| 6VLT | Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan | x-ray diffraction | A, B, C, D, E, F, G, H | HEM, LSN, CM5, SO4 | 20 (best 0.89) |
| 6VLT | Crystal structure of human P450 2C9*2 genetic variant in complex with losartan | x-ray diffraction | A, B, C, D, E, F, G, H | HEM, LSN, CM5, SO4 | — |
| 7RL2 | Crystal Structure of the Human Cytochrome P450 2C9*8 (CYP2C9*8) Genetic Variant in Complex with the… | x-ray diffraction | A | HEM, LSN, K, PO4 | 3 (best 0.88) |
| 7RL2 | Crystal structure of the human cytochrome P450 2C9*8 (CYP2C9*8) genetic variant in complex with the… | x-ray diffraction | A | HEM, LSN, K, PO4 | — |
| 8VX0 | Crystal structure of CYP2C9*14 in complex with losartan | x-ray diffraction | A | LSN, K, HEM, PO4 | 4 (best 0.88) |
| 8VZ7 | Crystal Structure of Human Cytochrome P450 2C9*27 (R150L) Genetic Variant in Complex with the Drug… | x-ray diffraction | A | HEM, LSN, FRU | 3 (best 0.88) |
| P11712 | AlphaFold monomer V2.0 prediction for cytochrome P450 2C9 (P11712) | predicted | A | — | — |
Ligands
- HEM · Protoporphyrin IX containing Fe · in 17 records
- LSN · [2-butyl-5-chloranyl-3-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol · in 12 records
- PO4 · Phosphate ion · in 7 records
- K · Potassium ion · in 3 records
- 6RJ · 4-[4-chloranyl-2-(1~{H}-pyrazol-4-yl)phenoxy]-3-cyano-~{N}-(1,3-thiazol-2-yl)benzenesulfonamide · in 2 records
- 9W6 · Ethyl {2-[([1,3]thiazolo[4,5-c]pyridine-2-carbonyl) amino]thiophene-3-carbonyl}carbamate · in 2 records
- CM5 · 5-cyclohexyl-1-pentyl-beta-D-maltoside · in 2 records
- HEC · Heme C · in 2 records
- SO4 · Sulfate ion · in 2 records
- FLP · Flurbiprofen · in 1 record
- FRU · beta-D-fructofuranose · in 1 record
- SWF · S-warfarin · in 1 record
Experiment against prediction
- 6VLT chain H against the predicted model P11712: TM-score 0.99, RMSD 0.84 Å
- 6VLT chain H against the predicted model P11712: TM-score 0.99, RMSD 0.84 Å
- 6VLT chain G against the predicted model P11712: TM-score 0.99, RMSD 0.87 Å
- 6VLT chain G against the predicted model P11712: TM-score 0.99, RMSD 0.87 Å
- 6VLT chain E against the predicted model P11712: TM-score 0.99, RMSD 0.83 Å
- 6VLT chain E against the predicted model P11712: TM-score 0.99, RMSD 0.83 Å
- 6VLT chain F against the predicted model P11712: TM-score 0.99, RMSD 0.84 Å
- 6VLT chain F against the predicted model P11712: TM-score 0.99, RMSD 0.84 Å
- 6VLT chain A against the predicted model P11712: TM-score 0.99, RMSD 0.93 Å
- 6VLT chain A against the predicted model P11712: TM-score 0.99, RMSD 0.93 Å
Elsewhere
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