(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: EPM
File name: alatis_output_compound.sdf
|
Formula: C21H41N1O3S1 Compound mass: 387.6185000000001 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 |
| EPM | 1ZO9 |
| CYK | 3DHC |
| KKA | 4BB3 |
| SMG | 1SJC |
| AME | 1SJA 3TDU 4GAO 4IWD 4YCN 4A6G 2J4Y 3Q6U 6G72 5X52 6G2J 3TDI 4GBA 4P5O 3TGU 4YCM |
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 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.