(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: MPT
File name: alatis_output_compound.sdf
|
Formula: C3H6O2S1 Compound mass: 106.14330000000004 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 |
| CC8 | |
| MPT | 1YYL 1YYM 5W4L 1K09 4R4N 4R4F 4RFN 6MFP 5UWE 2VDN 4LAJ 4RFO 4JZW 4KS6 1XY1 2I5Y 4KA2 5ID1 5KJR 4K0A 6MG7 2I60 4JZZ 4KTX |
| CYS_LFZW_DHG | |
| A8C | 6IJB |
| 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.