(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: EP1
File name: alatis_output_compound.sdf
|
Formula: C9H20N2O4S1 Compound mass: 252.33030000000016 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 |
| EP1 | 5CS3 5KF8 5KGJ 5VYQ 1RJN 5KF9 1RJM |
| 7WF | 5X0G |
| 250 | 2QZS 2R4U 6FP4 3COP 3CX4 2R4T 3GUH |
| NDB | 5U77 3KBO |
| T3A | 2R45 2R4E 1ZDY 2R46 6CIG |
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.