(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: PF5
File name: alatis_output_compound.sdf
|
Formula: C9F5H6N1O2 Compound mass: 255.14120000000005 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 |
| PF5 | 2JM0 6CL0 6DAT 3TJW 4S3G 4RV3 6CL2 6DA1 3TRV |
| F2F | 3D3V |
| FY3 | 5CI3 |
| 51T | 5CI2 |
| WFP | 6NAH 3KTK 4U0G 6BBA 6PMD 6PKA 3KTJ |
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.