(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 9VH
File name: alatis_output_compound.sdf
|
Formula: C6H13N1O5S1 Compound mass: 211.2356000000001 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 |
| 9VH | 5OHY 5OHT |
| 3CX | 3Q75 3Q78 3Q7F 3Q79 5M82 3Q7A 5ILI 5M85 3OQJ 3Q73 4Z7X 5ILH |
| 3FX | 3SFY 3SFX 3Q7A 5ILI 5ILH |
| OPX | 4XJA 4XJ9 4XJW 4XHX 4XE9 4XMA 4XIL 4XOG |
| KH2 | 5HZR 4DMO 4YU5 5KKW |
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.