(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: R2G
File name: alatis_output_compound.sdf
|
Formula: C5H8O3 Compound mass: 116.11490000000003 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 |
| R2G | 3KVR |
| R2B | 3KVY 3KVV |
| DGO | 5HJO 5M5D 5MC8 |
| LCN | 3S28 3U2W |
| GAD | 2FV1 5XQJ 5XQG 2FV0 1RWF 5Z6B 1RWC 5XQO 1RWH 2GH4 1RWG |
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.