(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: ME0
File name: alatis_output_compound.sdf
|
Formula: C5H11N1O3S1 Compound mass: 165.21030000000005 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 |
| ME0 | 3NBJ 3NBB 5G3L |
| MET | |
| MED | 4GLU 5I1O 3TJW 1ZUE 1TKJ 4OIK 6DZX 6CNU 4GLS 5HHD 5XPK 5CGO 5I1P 5I1N 3TRV 5CGN 4OIJ 1KQ0 5I5B 3TRY 5I1S 1Y9Q 2Q33 5I5A 3GP4 |
| MET_LEO2H | |
| MET_LFOH |
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.