(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 6MO
File name: alatis_output_compound.sdf
|
Formula: H1 Compound mass: 1.0079 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 |
| 6MO | 1FDO 3IR5 1Y5I 3IR7 1EU1 2NYA 1Y4Z 1KQF 1KQG 1Q16 3DMR 1H5N 1DMR 1FDI 1Y5N 3EGW 1Y5L |
| 4MO | 1TI2 1VLD 2DMR 1G8K 4V4D 4AAY 4V4E 1VLF 1TI6 1G8J 1VLE 1TI4 5NQD 4V4C 4DMR 1AA6 |
| GWW | 6H74 |
| EFK | 6FW2 |
| MOW | 3BDJ |
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.