(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: NSM
File name: alatis_output_compound.sdf
|
Formula: C1H3N1O1 Compound mass: 45.0405 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 |
| NSM | 6E02 2NSR 4M4A |
| TMO | 4A0T 3T29 6G13 4TSM 3T28 4OB5 6B1B 3EV5 5DCD 6GN3 6GN2 6T0E 5EOM 6FJ2 5WLQ 3T2H 5A3Y 4XZ6 5N2W 5SZP 6H54 5D09 3MQI 3T25 4FL9 3O1H 6D6Y 3T2A 4MO9 |
| NOE | 4M4B 1NPG 6E03 |
| NIE | 3FCJ 3BW3 4QIT |
| NIS | 2GJN |
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.