(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: G19
File name: alatis_output_compound.sdf
|
Formula: C26H34N4O6 Compound mass: 498.57 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.38
- Compound probability: 0.17
List of identified carbohydrate fragments:
-
C6H9
Fragment probability: 0.38
Fragment mass: 39.0558
Fragment main chain atoms: [1, 6]
Fragment all atoms: [1, 37, 38, 6, 51, 24, 21, 4, 12, 65, 45, 46, 47, 58, 59]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| G19 | 2OGM |
| AB8 | 1XDG |
| 7AO | 5LXS |
| 78C | 3ZMH |
| TN4 | 5YR4 1B6A 3FMR 5YR6 |
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.