(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: HSD
File name: alatis_output_compound.sdf
|
Formula: C7H13N1O4 Compound mass: 175.1819000000001 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 |
| CMN | |
| ACI | 3OLE 1UA7 4E2O 1V3L 2CXG 1E3Z 1UKQ 1A47 1V3M 3BC9 1UKS 1UH3 1WPC 1UKT 3OLD 3BMW |
| HSD | 3OLG 3OLI 1UH3 |
| CYL | |
| ADH | 1KCK 1DTU 2DIJ 1A47 |
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.