UniProt P0DPA9
Psilocybin synthase (P0DPA9)
Psilocybin synthase (UniProt P0DPA9), EC 2.1.1.-: 11 experimental structures and 1 predicted model on GenesisL1, 7 ligands bound, 42 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P0DPA9
- Protein
- Psilocybin synthase
- EC
- 2.1.1.-
- Experimental structures
- 11
- Predicted models
- 1
- Ligands
- 7
- Pockets
- 42 · 12 records with a druggable one
Structures
12 records of P0DPA9 in the MolNFT archive: 11 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 8PB3 | PsiM in complex with SAH and norbaeocystin, monoclinic crystal form | x-ray diffraction | A, B | SAH, XP6, CL, MG | 7 (best 0.84) |
| 8PB4 | PsiM in complex with SAH and norbaeocystin, orthorhombic crystal form | x-ray diffraction | A | SAH, XP6, CL | 3 (best 0.80) |
| 8PB6 | PsiM in complex with SAH and baeocystin | x-ray diffraction | A | SAH, XPN, CL | 3 (best 0.83) |
| 8PB7 | PsiM in complex with sinefungin and baeocystin | x-ray diffraction | A | SFG, XPN, CL | 3 (best 0.81) |
| 8PB8 | PsiM in complex with SAH | x-ray diffraction | A, B | SAH, CL | 6 (best 0.78) |
| 8QXQ | PsiM in complex with SAH and psilocybin | x-ray diffraction | A | SAH, X8Q, CL | 3 (best 0.80) |
| 9FMH | PsiM N247M in complex with SAH and norbaeocystin | x-ray diffraction | A | SAH, XP6, CL | 2 (best 0.82) |
| 9FMI | PsiM N247A in complex with SAH and norbaeocystin | x-ray diffraction | A | SAH, XP6, CL | 4 (best 0.80) |
| 9FMJ | PsiM N247M in complex with sinefungin and baeocystin | x-ray diffraction | A | SFG, XPN, CL | 2 (best 0.83) |
| 9FMK | PsiM N247A in complex with sinefungin and baeocystin | x-ray diffraction | A | SFG, XPN, CL | 3 (best 0.84) |
| 9GR6 | PsiM in complex with SAH, high resolution | x-ray diffraction | A | SAH, CL | 4 (best 0.77) |
| P0DPA9 | AlphaFold monomer V2.0 prediction for psilocybin synthase (P0DPA9) | predicted | A | — | 2 (best 0.78) |
Ligands
Experiment against prediction
- 8QXQ chain A against the predicted model P0DPA9: TM-score 0.93, RMSD 1.62 Å
- 8PB7 chain A against the predicted model P0DPA9: TM-score 0.93, RMSD 1.65 Å
- 8PB6 chain A against the predicted model P0DPA9: TM-score 0.93, RMSD 1.65 Å
- 8PB4 chain A against the predicted model P0DPA9: TM-score 0.93, RMSD 1.67 Å
- 9FMI chain A against the predicted model P0DPA9: TM-score 0.95, RMSD 1.66 Å
- 9FMH chain A against the predicted model P0DPA9: TM-score 0.93, RMSD 1.67 Å
- 9FMJ chain A against the predicted model P0DPA9: TM-score 0.93, RMSD 1.66 Å
- 9FMK chain A against the predicted model P0DPA9: TM-score 0.93, RMSD 1.66 Å
- 8PB3 chain B against the predicted model P0DPA9: TM-score 0.96, RMSD 1.69 Å
- 8PB3 chain A against the predicted model P0DPA9: TM-score 0.96, RMSD 1.73 Å
Elsewhere
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