(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 857
File name: alatis_output_compound.sdf
|
Formula: C26Cl1H26N5O4 Compound mass: 507.96770000000004 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.50
- Compound probability: 0.11
List of identified carbohydrate fragments:
-
C2H3N1O1
Fragment probability: 0.50
Fragment mass: 68.0771
Fragment main chain atoms: [1, 28, 25]
Fragment all atoms: [1, 37, 38, 39, 28, 25, 33]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| 857 | 2QU6 |
| I3K | 4FNY |
| 276 | 2QU5 |
| BAX | 4ASD 3RGF 1UWH 1UWJ 5HI2 3GCS 3HEG 3WZE |
| 2NR | 4NW5 |
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.