(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: TR9
File name: alatis_output_compound.sdf
|
Formula: C7H8O4 Compound mass: 156.13570000000004 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.00
- Compound probability: 0.00
List of identified carbohydrate fragments:
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| TR9 | 3KQA |
| 3DS | 3N59 6HS9 4GUH 4GUG |
| AS4 | 2AA2 6HGJ 2Q1H |
| HCY | 6HGF 4C49 4P6X 2VDY 6ITP 6ITQ 6NWL 2V95 5HGC 6HGG |
| C0R | 5L92 5L91 1Y5R 2A3I 4QF7 6HGI |
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
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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.