(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: EYG
File name: alatis_output_compound.sdf
|
Formula: C16H21N3O5S1 Compound mass: 367.4192 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 |
| EYG | 3NED |
| WCR | 3ST3 |
| TTX | 1KMH |
| CRX | 2G6E 1YJ2 |
| CH6 | 5H89 4ZIN 4ZIO 5H88 4KF4 3NED 1XA9 6IR2 3NF0 4OHS 1XQM 3NEZ 2QLG 5H87 6IR1 4KF5 2H5Q 5FHV |
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.