(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: DP9
File name: alatis_output_compound.sdf
|
Formula: C11H22N8O4 Compound mass: 330.34270000000004 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 |
| DP9 | 1P6J 1ZZQ 1P6N 1ZZS 1ZZR 1ZZT |
| DP1 | 1ZZU 1Q2O 1P6K 1P6L 1P6H |
| 4HX | 2HX4 |
| 0HZ | 5YVK 1O6I 5Z54 5Z53 |
| 7HS | 5YOF 5H6V |
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.