(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 81S
File name: alatis_output_compound.sdf
|
Formula: C5H11N1O2S2 Compound mass: 181.27590000000004 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 |
| 81S | 2MOA 4OS1 4OS2 |
| 81R | 4OS5 4OS6 4OS4 |
| KCY | 2N0I |
| HCS | 2LP2 2N0I 4YGW 5OTU 6PO4 5F2Y 5WT5 4PIY 1Q8A 1JQW 3VK4 4M3P 3BQ5 5X30 4HPD 1XDJ 5OTV 4QQU 6IQG 4XF4 4PIZ 2CI5 4XFI 1Q8J 4L6H 5DMM 4XFA 3BOF 1U22 4XF9 5OTW 5OTT 3BOL 1JVI 4L5Z |
| CBH | 1LT8 |
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.