(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: TTO
File name: alatis_output_compound.sdf
|
Formula: As1C24H20O2 Compound mass: 415.33519999999993 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 |
| TTO | 1HYZ |
| TTA | 1HYV |
| TH7 | 4FIK 3IQK |
| RXO | 4KU9 5V0F 4RSR |
| CAQ | 1XEP 2BUQ 3FW4 5KBI 3T67 1DLT 4QON 3MI5 4K7I 5VXT 1KND 5G4H 3HHY 2BUY 3O4M 4OOW 4ZXT 2PUM 5SWG |
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.