UniProt B5GMG2
Pentalenene synthase (B5GMG2)
Pentalenene synthase (UniProt B5GMG2), EC 4.2.3.7: 4 experimental structures and 1 predicted model on GenesisL1, 5 ligands bound, 15 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- B5GMG2
- Protein
- Pentalenene synthase
- EC
- 4.2.3.7
- Experimental structures
- 4
- Predicted models
- 1
- Ligands
- 5
- Pockets
- 15 · 2 records with a druggable one
Structures
5 records of B5GMG2 in the MolNFT archive: 4 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5NX6 | Crystal structure of 1,8-cineole synthase from Streptomyces clavuligerus in complex with… | x-ray diffraction | A, B | LA6, MG, 9D2, NDS | 8 (best 0.80) |
| 5NX6 | Crystal structure of 1,8-cineole synthase from streptomyces clavuligerus in complex with… | x-ray diffraction | A, B | LA6, MG, 9D2, NDS | — |
| 5NX7 | Crystal structure of 1,8-cineole synthase from Streptomyces clavuligerus in complex with… | x-ray diffraction | A, B | 0FV, LA6, MG, 9D2, NDS | 7 (best 0.79) |
| 5NX7 | Crystal structure of 1,8-cineole synthase from streptomyces clavuligerus in complex with… | x-ray diffraction | A, B | 0FV, LA6, MG, 9D2, NDS | — |
| B5GMG2 | AlphaFold monomer V2.0 prediction for 1,8-cineole synthase (B5GMG2) | predicted | A | — | — |
Ligands
- 9D2 · 2-ethyl-2-(hydroxymethyl)propane-1,3-diol · in 4 records
- LA6 · (2E)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate · in 4 records
- MG · Magnesium ion · in 4 records
- NDS · Ethyl dimethyl ammonio propane sulfonate · in 4 records
- 0FV · (2Z)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate · in 2 records
Experiment against prediction
- 5NX7 chain A against the predicted model B5GMG2: TM-score 0.99, RMSD 0.91 Å
- 5NX7 chain A against the predicted model B5GMG2: TM-score 0.99, RMSD 0.91 Å
- 5NX6 chain A against the predicted model B5GMG2: TM-score 0.98, RMSD 0.83 Å
- 5NX6 chain A against the predicted model B5GMG2: TM-score 0.98, RMSD 0.83 Å
- 5NX6 chain B against the predicted model B5GMG2: TM-score 0.98, RMSD 0.86 Å
- 5NX6 chain B against the predicted model B5GMG2: TM-score 0.98, RMSD 0.86 Å
- 5NX7 chain B against the predicted model B5GMG2: TM-score 0.98, RMSD 1.04 Å
- 5NX7 chain B against the predicted model B5GMG2: TM-score 0.98, RMSD 1.04 Å
Elsewhere
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