(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: FWT
File name: alatis_output_compound.sdf
|
Formula: C56H40O32S8 Compound mass: 1481.4160000000031 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 |
| EVB | 6GD8 6RSI 6RSL 6RSK 6GD6 6GD9 6HAJ 6RSJ 6GDA 6GD7 |
| T3Y | 6GL5 4YE1 4PRU 4N0K 4PRQ 4N0J 3TYI 6HA4 |
| FWQ | 6HAH 6RGI |
| FWT | 6HAJ |
| 6VJ | 5KPF |
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.