(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 7HN
File name: alatis_output_compound.sdf
|
Formula: C14F5H7O4 Compound mass: 334.19469999999995 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 |
| 7HN | 4V0S |
| WL3 | 5ACX |
| RHN | 4RFR 3R2A 4IE7 |
| TXQ | 3Q9Y 3Q9Z 3FL5 |
| EMO | 3CSD 2RHR 2RH4 3BQC 3RI3 3PZH 3Q9X 2RHC 3ED0 1F0Q 3Q9W 3C13 |
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.