(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 8NW
File name: alatis_output_compound.sdf
|
Formula: C11H21N1O2S2 Compound mass: 263.4191000000001 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 |
| 8NW | 5N5K |
| 8NT | 5N5J |
| LA2 | 3A8J 3A8I 3A8K 3CRK 3CRL 3AB9 |
| XOK | 5EXK |
| LPA | 1Y8P 1Y8N 1HPC 5IJ6 5T8U 2IQD 2C8M 1X2H 5IBY 1DP2 1Y8O 2ART |
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.