(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 27V
File name: alatis_output_compound.sdf
|
Formula: C16H23N3O5S1 Compound mass: 369.435 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 |
| 27V | 4MJV |
| 27S | 4MJU |
| 2H8 | 4KS1 |
| 1SJ | 4KS2 |
| LAB | 3MN5 2V51 2YJE 6GVC 5ZZA 4B1Y 2V52 4B1U 4B1V 2YJF 5ZZB 4V0U 5YEE 4B1X 4B1W 2Q0U |
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.