(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: FFM
File name: alatis_output_compound.sdf
|
Formula: C6H14N1O6P1S1 Compound mass: 259.2167000000001 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.67
- Compound probability: 0.27
List of identified carbohydrate fragments:
-
C3H6O1
Fragment probability: 0.67
Fragment mass: 58.0789
Fragment main chain atoms: [6, 3, 1]
Fragment all atoms: [6, 23, 10, 27, 3, 21, 1, 16, 17, 18]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| FFM | |
| 1KM | 4JH9 4JH7 |
| OCY | 3KVX 3FV8 3FI2 2R9S 5D78 1VSD 6AE9 1ASV 3FI3 1VSI 1VSJ 3O4Q 1VSH |
| CS0 | |
| P9S | 5LKY |
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.