(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: F19
File name: alatis_output_compound.sdf
|
Formula: C12H14N1O6P1S1 Compound mass: 331.28090000000014 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 |
| F19 | 2CLO 2CLH |
| F9F | 6DUC 4HPX 4HT3 5CGQ 6DZO 4XUG 2CLI 4HN4 6D0V 4HPJ 2CLL 6C73 3PR2 |
| 9DS | 2XVQ |
| NBB | 3BJH 3D77 3D75 3R72 3D74 3D78 3D73 3CZ1 3D76 |
| TBL | 3EHY |
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.