(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: PD1
File name: alatis_output_compound.sdf
|
Formula: C28H41N7O3 Compound mass: 523.6685999999995 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.39
- Compound probability: 0.13
List of identified carbohydrate fragments:
-
C4H9N1
Fragment probability: 0.39
Fragment mass: 57.113899999999994
Fragment main chain atoms: [3, 28, 4]
Fragment all atoms: [3, 45, 46, 47, 28, 5, 51, 52, 53, 34, 4, 48, 49, 50]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| PD1 | 2FGI |
| XOJ | 5A4C |
| XS4 | 6Q8J |
| MQM | 6OI9 |
| LZK | 2V59 |
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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