UniProt P04798
Cytochrome P450 1A1 (P04798)
Cytochrome P450 1A1 (UniProt P04798), EC 1.14.14.1, 4.2.1.152: 11 experimental structures and 1 predicted model on GenesisL1, 8 ligands bound, 60 pockets. Binding sites, druggability and experiment against prediction (TM-score)…
- UniProt
- P04798
- Protein
- Cytochrome P450 1A1
- EC
- 1.14.14.1, 4.2.1.152
- Experimental structures
- 11
- Predicted models
- 1
- Ligands
- 8
- Pockets
- 60 · 3 records with a druggable one
Structures
12 records of P04798 in the MolNFT archive: 11 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 4I8V | Human Cytochrome P450 1A1 in complex with alpha-naphthoflavone | x-ray diffraction | A, B, C, D | — | — |
| 4I8V | Human cytochrome P450 1A1 in complex with alpha-naphthoflavone | x-ray diffraction | A, B, C, D | — | — |
| 6DWM | Structure of Human Cytochrome P450 1A1 with Bergamottin | x-ray diffraction | A, B, C, D | HEM, HJJ, CPS | 20 (best 0.87) |
| 6DWM | Structure of human cytochrome P450 1A1 with bergamottin | x-ray diffraction | A, B, C, D | HEM, HJJ, CPS | — |
| 6DWN | Structure of Human Cytochrome P450 1A1 with Erlotinib | x-ray diffraction | A, B, C, D | HEM, AQ4, CPS | — |
| 6DWN | Structure of human cytochrome P450 1A1 with erlotinib | x-ray diffraction | A, B, C, D | HEM, AQ4, CPS | — |
| 6O5Y | Structure of human cytochrome P450 1A1 with 5-amino-N-(5-((4R,5R)-4… | x-ray diffraction | A, B, C, D | HEM, KUV, NO3 | — |
| 6UDL | Structure of Human Cytochrome P450 1A1 with Duocarmycin Prodrug (S) ICT-2700 | x-ray diffraction | A, B, C, D | HEM, Q4M | 20 (best 0.88) |
| 6UDL | Structure of human cytochrome P450 1A1 with duocarmycin prodrug (S) ict-2700 | x-ray diffraction | A, B, C, D | HEM, Q4M | — |
| 6UDM | Structure of Human Cytochrome P450 1A1 with Duocarmycin Prodrug (S) ICT-2726 | x-ray diffraction | A, B, C, D | HEM, Q4P, CPS | 20 (best 0.87) |
| 6UDM | Structure of human cytochrome P450 1A1 with duocarmycin prodrug (S) ict-2726 | x-ray diffraction | A, B, C, D | HEM, Q4P, CPS | — |
| P04798 | AlphaFold monomer V2.0 prediction for cytochrome P450 1A1 (P04798) | predicted | A | — | — |
Ligands
- HEM · Protoporphyrin IX containing Fe · in 9 records
- CPS · 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate · in 6 records
- AQ4 · [6,7-bis(2-methoxy-ethoxy)quinazoline-4-yl]-(3-ethynylphenyl)amine · in 2 records
- HJJ · 4-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-7H-furo[3, 2-g][1]benzopyran-7-one · in 2 records
- Q4M · [(1S)-1-(chloromethyl)-1,6-dihydropyrrolo[3,2-e]indol-3(2H)-yl](5-methoxy-1H-indol-2-yl)methanone · in 2 records
- Q4P · [(8S)-8-(chloromethyl)-7,8-dihydro-6H-furo[3,2-e]indol-6-yl](5-fluoro-1H-indol-2-yl)methanone · in 2 records
- KUV · 5-amino-N-{5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide · in 1 record
- NO3 · Nitrate ion · in 1 record
Experiment against prediction
- 4I8V chain A against the predicted model P04798: TM-score 1.00, RMSD 0.42 Å
- 4I8V chain A against the predicted model P04798: TM-score 1.00, RMSD 0.42 Å
- 6UDM chain A against the predicted model P04798: TM-score 1.00, RMSD 0.42 Å
- 6UDM chain A against the predicted model P04798: TM-score 1.00, RMSD 0.42 Å
- 6UDL chain B against the predicted model P04798: TM-score 1.00, RMSD 0.45 Å
- 6UDL chain B against the predicted model P04798: TM-score 1.00, RMSD 0.45 Å
- 6DWM chain B against the predicted model P04798: TM-score 1.00, RMSD 0.48 Å
- 6DWM chain B against the predicted model P04798: TM-score 1.00, RMSD 0.48 Å
- 6DWM chain C against the predicted model P04798: TM-score 1.00, RMSD 0.48 Å
- 6DWM chain C against the predicted model P04798: TM-score 1.00, RMSD 0.48 Å
Elsewhere
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