(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: FNU
File name: alatis_output_compound.sdf
|
Formula: C9F1H13N3O9P1 Compound mass: 357.18590000000006 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.43
List of identified carbohydrate fragments:
-
C5H8N1O4
Fragment probability: 1.00
Fragment mass: 146.121
Fragment main chain atoms: [4, 5, 8, 22, 2]
Fragment all atoms: [4, 27, 14, 33, 5, 28, 15, 34, 8, 29, 13, 22, 2, 26, 1, 24, 25, 21]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| FNU | 3N34 3S9Y 3N2M 3SSJ |
| NUP | 3DBP 3WJZ 3THQ 2Q8Z 3WJX 3N3M 3WJY |
| 5FU | 2VP6 2E9T 3G3D 3SW6 2QCF 3SGU 3G3M 3MW7 3G1V |
| 5CF | 3JXQ 3JXR |
| UD5 | 1ZL3 |
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.