(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: EUP
File name: alatis_output_compound.sdf
|
Formula: C4H10N2O3 Compound mass: 134.13340000000005 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 |
| EUP | 6CAE |
| DAB | 3FQ9 2N5W 1JDK 2M7I 5YU4 6D2U 1JAR 6CIV 1J9V 4ZJX 2N5Y 5L3G 3U51 5L3F 6CBI 1B4H 2PM1 3D3S 6GXC 3DS9 3U4W 6Q5M 3KED 1J73 5LRV 4XMZ 2W76 |
| HVA | 2RQO |
| THR_LEO2H_DHG1 | |
| THR_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.