(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: CSN
File name: alatis_output_compound.sdf
|
Formula: C6H5N1O7S1 Compound mass: 235.17120000000006 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 |
| CSN | 3U96 1PA9 1E2S 3S3K |
| 4NS | 2ZYU 4P05 |
| 4NC | 5PHD 2BUZ 3LXV 3OJK 4GHH 4GHF 4Z6W 5CHR 4Z6V 4Z6U 2BUU 3VSI 4GHE 1EOC 1NO3 |
| DNX | 6C1X 3VPL 6C1J 6C17 |
| DNC | 3BWM 1VID 6I3D 5FHR 3A7E 3BWY 6I3C 5FHQ 5LSA |
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.