(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: CMH
File name: alatis_output_compound.sdf
|
Formula: C4H9Hg1N1O2S1 Compound mass: 335.7744 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 |
| CMH | 1WB2 4ACA 1WB1 2NNO 3WEE 4AC9 1WB3 4ACB 2NNS 2FOU 2FOV 4CT3 2FOQ 2NNV 2FOS 2NNG |
| CYS_LEO2 | |
| CYS_LFZW | |
| CYS_LFZW_DHG | |
| CYS_LEO2_DHG |
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.