(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: L7P
File name: alatis_output_compound.sdf
|
Formula: C26F7H24N3O1 Compound mass: 527.4760999999992 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.21
- Compound probability: 0.19
List of identified carbohydrate fragments:
-
C6H3O1
Fragment probability: 0.21
Fragment mass: 48.0428
Fragment main chain atoms: [25, 24, 26]
Fragment all atoms: [25, 24, 21, 5, 15, 42, 56, 37, 61, 26]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| L7P | 6NWT |
| M87 | 4CAM 5G67 4CAR |
| C4Q | 2LOA |
| ML6 | 4CAP 5G68 |
| 0GD | 4D7O 4D7I 4D7J |
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.