(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: STT
File name: alatis_output_compound.sdf
|
Formula: C6H9N1O4S3 Compound mass: 255.33460000000005 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 |
| STT | 3F81 |
| 2Q0 | 4O24 |
| 6SB | 5KEW |
| TUD | 5EPO 6GW2 6GW0 2B01 2B03 |
| TCH | 6PXA 3ZUY 2DR0 1AQL 3ZUX 1O1V 3QQA 6P4K 3HGY 2AZZ |
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.