(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: QUS
File name: alatis_output_compound.sdf
|
Formula: C5H7N3O5 Compound mass: 189.12590000000006 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 |
| QUS | 1MM7 1S9T 5VHZ 2AL4 4F29 6N51 1P1O 6N50 1MM6 2JBK 4UQK 4F2O 4F2Q 3B6T 2OR4 3FEE |
| FWD | 4U5C 4U1Y 2AL5 4U21 1MQI 4U22 5JEI 3RT6 4U23 |
| HWD | 1MQJ |
| UBP | 3H03 |
| IWD | 3T96 1MQG 1MY4 |
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.