(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: EU
File name: alatis_output_compound.sdf
|
Formula: Eu1 Compound mass: 151.964 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 |
| EU3 | 4LP1 2FBY 1WC4 1JHW 2P1X 1E8S 4BAR 4BAL 3MVO 4BAD 4BAP 4BAF |
| EU | 3TOR 5G6U 2YAT 2PC2 3PY9 6FKW 4ENI 2PE7 4H1P 1QSL 3TF6 3LGR 1BUB 3OJO |
| AUF | 5DNN |
| TRI | 4MU0 1CRA |
| TBB |
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.