(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: SLC
File name: alatis_output_compound.sdf
|
Formula: C9H13N1O3Se1 Compound mass: 262.16390000000007 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.33
- Compound probability: 0.43
List of identified carbohydrate fragments:
-
C4H4N1O1
Fragment probability: 0.33
Fragment mass: 68.07379999999999
Fragment main chain atoms: [1, 6, 8]
Fragment all atoms: [1, 15, 16, 6, 5, 23, 24, 8, 11, 10]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| SLC | 2YDM 3ZQZ |
| N7P | 3P9Y 6AX4 4AVS 1NX8 5IVN 4Y69 4Y6V 5T1I 4Y6A 6I2G |
| N8P | 4AYU |
| FPK | 4BDS |
| GHE | 4AVV 4AVT |
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.