(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: TS2
File name: alatis_output_compound.sdf
|
Formula: C27H47N9O10S2 Compound mass: 721.8444999999978 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 |
| TS2 | 3GRT |
| TS4 | 5GRT |
| GDS | 4ZB6 3FR3 4MRS 1YKC 4IS0 4ZB9 4F0B 4ZBA 2GRT 4TR0 4C0R 2WDU 4ZB8 4MZW 6AP9 3M8U 4NAX 5THY 3GX0 4F0C 5O00 |
| TS3 | |
| GCG | 2WOW 4ADW 4GRT 1BZL |
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.