(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: S62
File name: alatis_output_compound.sdf
|
Formula: C7H5N1O6S3 Compound mass: 295.31250000000006 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 |
| S62 | 3QV8 |
| EVF | 5JDV 3S73 5JG5 5JES 5JGS 5JEG 5JEP 5JG3 5JEH 5JE7 |
| B6S | |
| ZEC | 1ZFQ 3L5U |
| EZL | 6MWI 5TT3 5JN9 3DCW 6BCC 3MDZ 6QL2 3CAJ 3DD0 |
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.