(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: BFD
File name: alatis_output_compound.sdf
|
Formula: Be1C4F3H6N1O4 Compound mass: 198.10190000000003 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.84
- Compound probability: 0.69
List of identified carbohydrate fragments:
-
C4H4N1O4
Fragment probability: 0.84
Fragment mass: 132.0945
Fragment main chain atoms: [3, 1, 2, 4]
Fragment all atoms: [3, 6, 7, 1, 10, 11, 2, 12, 5, 4, 8, 9, 15]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| BFD | 5UHT 4XE5 4JAS 3HZH 2JCM 1RLO 3GL9 6ROJ 6AZR 1J97 2FTK 5YLU 1ZDM 6ROI 4JAV 5A3R 5UJ0 2G07 1TA0 2HEG 4XQ0 4BBJ 4JA2 6ROH 5YLV 3EF1 |
| 0A0 | 1ART |
| ASP_LEO2_DHD2 | |
| ASP_LEO2 | |
| ASP |
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.