(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 503
File name: alatis_output_compound.sdf
|
Formula: C24F1H28N3O5S1 Compound mass: 489.5585 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.55
- Compound probability: 0.21
List of identified carbohydrate fragments:
-
C5H7O2
Fragment probability: 0.55
Fragment mass: 67.0659
Fragment main chain atoms: [16, 33, 24]
Fragment all atoms: [16, 58, 59, 17, 60, 10, 9, 47, 48, 45, 46, 33, 24, 29]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| 503 | 6FVF |
| E8K | 6FVG |
| CQP | 2C1B |
| TKT | 6HIS 2WNC 5OAJ |
| C80 | 2V11 |
Citation:
- Hesam Dashti, William M. Westler, Jonathan R. Wedell, Olga V. Demler, Hamid R. Eghbalnia, John L. Markley & Samia Mora, Probabilistic identification of saccharide moieties in biomolecules and their protein complexes, Scientific Data volume 7, Article number: 210 (2020), https://doi.org/10.1038/s41597-020-0547-y, https://www.nature.com/articles/s41597-020-0547-y
Disclaimer:
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- The NetwrokX library is used in the CTPIC source codes.
- The Open Babel software package is used in the CTPIC source codes.