(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: MOS
File name: alatis_output_compound.sdf
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Formula: H2O2S1 Compound mass: 66.0796 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 |
| MOS | 3ZYV 1VDV 1FO4 2W54 3AM9 3ETR 3O5A 1FIQ 3UNA 5G5G 3AMZ 1JRO 3UNI 3NVW 5Y6Q 3NVV 3B9J 3ML1 1JRP 3NRZ 1N5X 3NS1 3NVZ 4UHW 2W55 3NVY 5G5H 1V97 3HRD 3UNC 4UHX 5EPG |
| MOW | 3BDJ |
| MOM | 2W3S 2E1Q 2W3R 3EUB 3HBG 3HBQ 3HBP |
| CUM | 1ZXI 1N5W |
| CUN | 1N61 1N63 |
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.