UniProt C3SBW0
Pavine N-methyltransferase (C3SBW0)
Pavine N-methyltransferase (UniProt C3SBW0), EC 2.1.1.300: 10 experimental structures and 1 predicted model on GenesisL1, 4 ligands bound, 12 pockets. Binding sites, druggability and experiment against prediction (TM-score) in…
- UniProt
- C3SBW0
- Protein
- Pavine N-methyltransferase
- EC
- 2.1.1.300
- Experimental structures
- 10
- Predicted models
- 1
- Ligands
- 4
- Pockets
- 12 · 3 records with a druggable one
Structures
11 records of C3SBW0 in the MolNFT archive: 10 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5KN4 | Pavine N-methyltransferase apoenzyme pH 6.0 | x-ray diffraction | A, B | — | — |
| 5KN4 | Pavine N-methyltransferase apoenzyme pH 6.0 | x-ray diffraction | A, B | — | — |
| 5KOC | Pavine N-methyltransferase in complex with S-adenosylmethionine pH 7 | x-ray diffraction | A, B | SAM | 5 (best 0.79) |
| 5KOC | Pavine N-methyltransferase in complex with S-adenosylmethionine pH 7 | x-ray diffraction | A, B | — | — |
| 5KOK | Pavine N-methyltransferase in complex with Tetrahydropapaverine and S-adenosylhomocysteine pH 7.25 | x-ray diffraction | A, B | SAH, S9T, R9T | 5 (best 0.84) |
| 5KOK | Pavine N-methyltransferase in complex with tetrahydropapaverine and S- adenosylhomocysteine pH 7.25 | x-ray diffraction | A, B | S9T, R9T | — |
| 5KPC | Pavine N-methyltransferase H206A mutant in complex with S-adenosylmethionine pH 6 | x-ray diffraction | A, B | — | — |
| 5KPC | Pavine N-methyltransferase H206A mutant in complex with S- adenosylmethionine pH 6 | x-ray diffraction | A, B | — | — |
| 5KPG | Pavine N-methyltransferase in complex with S-adenosylhomocysteine pH 7 | x-ray diffraction | A, B | — | — |
| 5KPG | Pavine N-methyltransferase in complex with S-adenosylhomocysteine pH 7 | x-ray diffraction | A, B | — | — |
| C3SBW0 | AlphaFold monomer V2.0 prediction for pavine N-methyltransferase (C3SBW0) | predicted | A | — | 2 (best 0.86) |
Ligands
Experiment against prediction
- 5KOC chain A against the predicted model C3SBW0: TM-score 0.99, RMSD 0.67 Å
- 5KOC chain B against the predicted model C3SBW0: TM-score 0.99, RMSD 0.73 Å
- 5KPC chain B against the predicted model C3SBW0: TM-score 0.99, RMSD 0.63 Å
- 5KPC chain B against the predicted model C3SBW0: TM-score 0.99, RMSD 0.63 Å
- 5KPC chain A against the predicted model C3SBW0: TM-score 0.99, RMSD 0.65 Å
- 5KPC chain A against the predicted model C3SBW0: TM-score 0.99, RMSD 0.65 Å
- 5KOC chain A against the predicted model C3SBW0: TM-score 0.99, RMSD 0.67 Å
- 5KPG chain A against the predicted model C3SBW0: TM-score 0.99, RMSD 0.71 Å
- 5KPG chain A against the predicted model C3SBW0: TM-score 0.99, RMSD 0.71 Å
- 5KOC chain B against the predicted model C3SBW0: TM-score 0.99, RMSD 0.73 Å
Elsewhere
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