(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 51C
File name: alatis_output_compound.sdf
|
Formula: C14H28O6 Compound mass: 292.3674000000002 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 |
| 51C | 5CGB |
| 88Q | 4AIZ |
| BO0 | 6FWL |
| OPG | 6CGT |
| LI1 | 6G7J 1C8R 6G7L 1P8U 1MGY 1F4Z 1F50 1KGB 1S8L 2I1X 1C8S 2I20 1M0K 1S8J 1O0A 6G7H 1KG8 1M0M 3NS0 3NSB 1KG9 5J7A 6G7I 1P8I 4X32 3T45 2I21 1JV7 4X31 1M0L 6G7K 4FPD 5A44 1P8H 1C3W 1JV6 6RQP 2WJK 4JQ6 |
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.