(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: FXT
File name: alatis_output_compound.sdf
|
Formula: C7H18N6 Compound mass: 186.2573000000001 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 |
| FXT | 6HC5 |
| 05T | |
| D86 | 5MO2 5MOS |
| MRZ | 4X1N 4ZJ5 4X1S 5MNO 5MNN 4UE7 5F8X 4X0W 4ZHM 5F8T 5F8Z 6A8O 5MNP 4X1P 4ZJ4 4ZJ6 |
| 46W | 4Y4W |
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.