UniProt P9WPP1
Steroid C26-monooxygenase (P9WPP1)
Steroid C26-monooxygenase (UniProt P9WPP1), EC 1.14.15.29: 9 experimental structures and 1 predicted model on GenesisL1, 12 ligands bound, 65 pockets. Binding sites, druggability and experiment against prediction (TM-score) in…
- UniProt
- P9WPP1
- Protein
- Steroid C26-monooxygenase
- EC
- 1.14.15.29
- Experimental structures
- 9
- Predicted models
- 1
- Ligands
- 12
- Pockets
- 65 · 8 records with a druggable one
Structures
10 records of P9WPP1 in the MolNFT archive: 9 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 7QKE | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with inhibitor (surface… | x-ray diffraction | A | E1V, HEM | 3 (best 0.85) |
| 7QNN | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with inhibitor (surface… | x-ray diffraction | A | HEM, E93 | 3 (best 0.86) |
| 7R1I | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | x-ray diffraction | A, B, C | HEM, HIH, SO4, CL | — |
| 7YXF | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | x-ray diffraction | A, B, C | I6Y, HEM, SO4 | 8 (best 0.85) |
| 7ZLZ | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | x-ray diffraction | A, B, C | JFC, HEM, SO4 | 11 (best 0.85) |
| 7ZQR | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | x-ray diffraction | A, B, C | HEM, JK9, SO4, CL | 11 (best 0.85) |
| 7ZSU | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | x-ray diffraction | A, B, C | JV3, HEM, SO4 | 11 (best 0.85) |
| 7ZT0 | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | x-ray diffraction | A, B | HEM, JUR, SO4, CL | 8 (best 0.86) |
| 7ZXD | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | x-ray diffraction | A, B, C | KB9, HEM, SO4, CL | 10 (best 0.87) |
| P9WPP1 | AlphaFold monomer V2.0 prediction for steroid C26-monooxygenase (P9WPP1) | predicted | A | — | — |
Ligands
- HEM · Protoporphyrin IX containing Fe · in 9 records
- SO4 · Sulfate ion · in 7 records
- CL · Chloride ion · in 4 records
- E1V · ethyl 1-(cyclohexylmethyl)-5-pyridin-4-yl-indole-2-carboxylate · in 1 record
- E93 · ethyl 1-(cyclopentylmethyl)-5-pyridin-4-yl-indole-2-carboxylate · in 1 record
- HIH · ethyl 1-(2-piperidin-4-ylethyl)-5-pyridin-4-yl-indole-2-carboxylate · in 1 record
- I6Y · 1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole · in 1 record
- JFC · ethyl 1-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-indole-2-carboxylate · in 1 record
- JK9 · 4-(4-methoxyphenyl)pyridine · in 1 record
- JUR · 1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole-2-carboxamide · in 1 record
- JV3 · methyl 3-pyridin-4-ylbenzoate · in 1 record
- KB9 · 1-[1-(2-piperidin-4-ylethyl)-5-pyridin-4-yl-indol-2-yl]butan-1-one · in 1 record
Experiment against prediction
- 7QNN chain A against the predicted model P9WPP1: TM-score 1.00, RMSD 0.37 Å
- 7QKE chain A against the predicted model P9WPP1: TM-score 1.00, RMSD 0.38 Å
- 7R1I chain B against the predicted model P9WPP1: TM-score 1.00, RMSD 0.38 Å
- 7ZSU chain B against the predicted model P9WPP1: TM-score 1.00, RMSD 0.42 Å
- 7ZXD chain B against the predicted model P9WPP1: TM-score 1.00, RMSD 0.42 Å
- 7ZLZ chain B against the predicted model P9WPP1: TM-score 1.00, RMSD 0.43 Å
- 7ZQR chain B against the predicted model P9WPP1: TM-score 1.00, RMSD 0.45 Å
- 7ZLZ chain C against the predicted model P9WPP1: TM-score 1.00, RMSD 0.46 Å
- 7ZXD chain C against the predicted model P9WPP1: TM-score 1.00, RMSD 0.46 Å
- 7YXF chain B against the predicted model P9WPP1: TM-score 1.00, RMSD 0.48 Å
Elsewhere
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