(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: PPF
File name: alatis_output_compound.sdf
|
Formula: C1H3O5P1 Compound mass: 126.00520000000002 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 |
| PPF | 1EI6 2IT4 1NKI 5HP1 3T01 2RK8 4MV7 3KD5 |
| GB | 2WG1 5O37 6FVP 5LQ1 5LQ8 6FOR 6G3L 2WG0 1CFJ |
| PPM | |
| ALU | 2VJY |
| FFQ | 4J1W 3VCY 1UAE 4R7U 3LTH 3KR6 |
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.