(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: V13
File name: alatis_output_compound.sdf
|
Formula: C8F4H7N1O5S2 Compound mass: 337.2682000000001 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 |
| V13 | 5MSB 4PZH 4HU1 |
| 3TV | 4WW6 4WR7 5LLN 5MSA |
| 3UF | 4WUP |
| V90 | 5OGJ 4Q06 6FE0 4PYX 4Q08 |
| V14 | 6FE1 5E2M 4Q09 5E2N 6QL3 4Q0L 4Q07 4PYY |
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.