(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: FM4
File name: alatis_output_compound.sdf
|
Formula: C3H8O7P2 Compound mass: 218.03870000000006 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 |
| FM4 | 3QUR |
| FCN | 1LQP 4JH8 3UH9 4JD1 1UAE 4JH3 4JH6 3D41 4IR0 5V3D 4JH5 4JH4 2BNN 3QUO |
| 2JA | 4N7U |
| GG6 | 2P7Q 2RL2 |
| FV1 | 3QVF |
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
Disclaimer:
- The custom source code, developed using Python3 in the Linux environment. This work is copyrighted under the terms of GPL, and the results are released under CC0 1.0 Universal of the Open Science Framework. The web-service and the source codes are provided on an “as is” basis without warranty of any kind, either expressed or implied. Any usage of the web-server, or modification and application of the source codes are free for academic use when CTPIC publications are cited.
- The NetwrokX library is used in the CTPIC source codes.
- The Open Babel software package is used in the CTPIC source codes.