UniProt Q30W70
Choline trimethylamine-lyase (Q30W70)
Choline trimethylamine-lyase (UniProt Q30W70), EC 4.3.99.4: 14 experimental structures and 1 predicted model on GenesisL1, 4 ligands bound, 116 pockets. Binding sites, druggability and experiment against prediction (TM-score) in…
- UniProt
- Q30W70
- Protein
- Choline trimethylamine-lyase
- EC
- 4.3.99.4
- Experimental structures
- 14
- Predicted models
- 1
- Ligands
- 4
- Pockets
- 116 · 7 records with a druggable one
Structures
15 records of Q30W70 in the MolNFT archive: 14 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5FAU | wild-type choline TMA lyase in complex with choline | x-ray diffraction | A, B, C, D | CHT | 20 (best 0.82) |
| 5FAU | Wild-type choline tma lyase in complex with choline | x-ray diffraction | A, B, C, D | — | — |
| 5FAV | E491Q mutant of choline TMA-lyase | x-ray diffraction | A, B | NA | 14 (best 0.84) |
| 5FAV | E491Q mutant of choline tma-lyase | x-ray diffraction | A, B | — | — |
| 5FAW | T502A mutant of choline TMA-lyase | x-ray diffraction | A, B | NA, CHT | 14 (best 0.84) |
| 5FAW | T502A mutant of choline tma-lyase | x-ray diffraction | A, B | — | — |
| 5FAY | Y208F mutant of choline TMA-lyase | x-ray diffraction | A, B | NA, CHT | 16 (best 0.84) |
| 5FAY | Y208F mutant of choline tma-lyase | x-ray diffraction | A, B | — | — |
| 5KDP | E491A mutant of choline TMA-lyase | x-ray diffraction | A, C | NA | 14 (best 0.83) |
| 5KDP | E491A mutant of choline tma-lyase | x-ray diffraction | A, C | NA | — |
| 6ND3 | wild-type choline TMA lyase in complex with betaine aldehyde | x-ray diffraction | A, B, C, D, E, F, G, H | BTL | 20 (best 0.83) |
| 6ND3 | Wild-type choline tma lyase in complex with betaine aldehyde | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 6VUE | wild-type choline TMA lyase in complex with 1-methyl-1,2,3,6-tetrahydropyridin-3-ol | x-ray diffraction | A, B | NA, RP7 | 18 (best 0.78) |
| 6VUE | Wild-type choline tma lyase in complex with 1-methyl-1,2,3,6- tetrahydropyridin-3-ol | x-ray diffraction | A, B | NA, RP7 | — |
| Q30W70 | AlphaFold monomer V2.0 prediction for choline trimethylamine-lyase (Q30W70) | predicted | A | — | — |
Ligands
Experiment against prediction
- 5FAU chain B against the predicted model Q30W70: TM-score 1.00, RMSD 0.18 Å
- 5FAU chain B against the predicted model Q30W70: TM-score 1.00, RMSD 0.18 Å
- 5FAY chain B against the predicted model Q30W70: TM-score 1.00, RMSD 0.19 Å
- 5FAY chain B against the predicted model Q30W70: TM-score 1.00, RMSD 0.19 Å
- 5FAU chain D against the predicted model Q30W70: TM-score 1.00, RMSD 0.20 Å
- 5FAU chain D against the predicted model Q30W70: TM-score 1.00, RMSD 0.20 Å
- 6ND3 chain G against the predicted model Q30W70: TM-score 1.00, RMSD 0.22 Å
- 5FAU chain A against the predicted model Q30W70: TM-score 1.00, RMSD 0.22 Å
- 5FAU chain A against the predicted model Q30W70: TM-score 1.00, RMSD 0.22 Å
- 6ND3 chain C against the predicted model Q30W70: TM-score 1.00, RMSD 0.23 Å
Elsewhere
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