(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: CUN
File name: alatis_output_compound.sdf
|
Formula: Cu1H2O2S1 Compound mass: 129.6256 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 |
| CUM | 1ZXI 1N5W |
| CUN | 1N61 1N63 |
| MOW | 3BDJ |
| MOS | 3ZYV 1VDV 1FO4 2W54 3AM9 3ETR 3O5A 1FIQ 3UNA 5G5G 3AMZ 1JRO 3UNI 3NVW 5Y6Q 3NVV 3B9J 3ML1 1JRP 3NRZ 1N5X 3NS1 3NVZ 4UHW 2W55 3NVY 5G5H 1V97 3HRD 3UNC 4UHX 5EPG |
| EFK | 6FW2 |
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.