(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: AS8
File name: alatis_output_compound.sdf
|
Formula: C2H4O5S1 Compound mass: 140.115 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 |
| AS8 | 2XYB |
| OSL | 1TPS |
| OSE | 6DWR 6HOO 5V8D 6IL9 4HF7 2PVV 1EA7 6DWQ 1YLN |
| SDS | 3GP6 1H0J 4QIP 3U90 4IB8 4GNY 3QQT 4IBA 4D87 3B6L |
| OSF | 3FVI 5OSN 5MQU |
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.