(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: M2D
File name: alatis_output_compound.sdf
|
Formula: C26H37N3O7 Compound mass: 503.58639999999997 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 |
| M2D | |
| VIF | 4U20 4U27 4TPF 4TPD 4TOX 4TOV |
| VIR | 4TP5 1YIT 1KHR 4U25 4HUS 4TP7 1N8R |
| DOL | 2Z2P 4U24 1MRL 4TP9 4TP3 1SM1 4U26 4TPB 4TP1 |
| RH9 | 2VYP |
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.