(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: THJ
File name: alatis_output_compound.sdf
|
Formula: O3S2 Compound mass: 112.12819999999999 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 |
| THJ | 3W1J 1CQD 3WCO 3GED 2PNS 4WQE 1Q0K 4XEZ 2B94 2WDE 5LO9 6ASM 4V2K 3FO3 4XFF 6AT3 6AT4 6AT2 5I0S 1JEC 1O0E 3S4O 3WCN 5I0T 4WQ9 5EZW 1IWD 4WQC 3GEG |
| DTN | 4RKN 6EHS 1FT6 |
| SFN | |
| SUL | |
| SOH |
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
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- 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.