(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: H55
File name: alatis_output_compound.sdf
|
Formula: C10H13N9O1 Compound mass: 275.2694 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.20
- Compound probability: 0.20
List of identified carbohydrate fragments:
-
C2N1O1
Fragment probability: 0.20
Fragment mass: 96.0905
Fragment main chain atoms: [9, 18, 10]
Fragment all atoms: [9, 20, 18, 10]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| H55 | 6AG7 |
| 27I | 5ZA8 |
| 9X9 | 6AG2 |
| 94I | 5ZAG |
| 30I | 5ZAH |
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.