(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 111
File name: alatis_output_compound.sdf
|
Formula: C16H25N3O7S2 Compound mass: 435.5146 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 |
| 111 | 1G49 |
| SPC | 1D7X |
| NGH | 5LAB 2JNP 2JSD 1Q3A 1YCM 4JA1 4DPE 1Z3J 1RMZ 4G9L |
| N25 | 1BQO |
| QI3 | 3QJ0 |
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.