UniProt B1W019
(+)-caryolan-1-ol synthase (B1W019)
(+)-caryolan-1-ol synthase (UniProt B1W019), EC 4.2.1.138, 4.2.3.89: 2 experimental structures and 1 predicted model on GenesisL1, 5 ligands bound, 36 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- B1W019
- Protein
- (+)-caryolan-1-ol synthase
- EC
- 4.2.1.138, 4.2.3.89
- Experimental structures
- 2
- Predicted models
- 1
- Ligands
- 5
- Pockets
- 36 · 2 records with a druggable one
Structures
3 records of B1W019 in the MolNFT archive: 2 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 9C7I | Crystal structure of caryolan-1-ol synthase from S. griseus with PEG molecule in the active site | x-ray diffraction | A, B, C, D | CA | 18 (best 0.86) |
| 9C7J | Crystal structure of caryolan-1-ol synthase complexed with 2-fluorofarnesyl diphosphate | x-ray diffraction | A, B, C, D | FPF, PO4, MG, DPO | 18 (best 0.86) |
| B1W019 | AlphaFold monomer V2.0 prediction for (+)-caryolan-1-ol synthase (B1W019) | predicted | A | — | — |
Ligands
Experiment against prediction
- 9C7I chain C against the predicted model B1W019: TM-score 0.98, RMSD 0.81 Å
- 9C7I chain B against the predicted model B1W019: TM-score 0.98, RMSD 0.82 Å
- 9C7I chain D against the predicted model B1W019: TM-score 0.98, RMSD 0.85 Å
- 9C7J chain C against the predicted model B1W019: TM-score 0.98, RMSD 0.91 Å
- 9C7J chain A against the predicted model B1W019: TM-score 0.98, RMSD 0.92 Å
- 9C7I chain A against the predicted model B1W019: TM-score 0.98, RMSD 0.93 Å
- 9C7J chain D against the predicted model B1W019: TM-score 0.98, RMSD 0.95 Å
- 9C7J chain B against the predicted model B1W019: TM-score 0.97, RMSD 1.36 Å
Elsewhere
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