(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: KG7
File name: alatis_output_compound.sdf
|
Formula: C3H5N1O3 Compound mass: 103.07650000000002 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.93
- Compound probability: 0.57
List of identified carbohydrate fragments:
-
C2H1O2
Fragment probability: 0.93
Fragment mass: 72.06250000000001
Fragment main chain atoms: [3, 2]
Fragment all atoms: [3, 6, 5, 11, 2]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| KG7 | 6N92 6N93 |
| NAK | 2MBZ 4IYO 1TZM |
| MH6 | 2L2Y 2L2X 2L2W 2MC0 3U2Q 2ZJP 2JQ7 2E49 3U6B 3CF5 1D8T 5D8H 1OLN 3U6K 4G5G 3CEP 4HP2 6MXF 5JBQ 1E9W 2C77 |
| FK2 | 6H2G |
| ISB |
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.