(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 0XJ
File name: alatis_output_compound.sdf
|
Formula: C24H30O3 Compound mass: 366.49199999999996 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.50
- Compound probability: 0.11
List of identified carbohydrate fragments:
-
C2H2O1
Fragment probability: 0.50
Fragment mass: 54.0473
Fragment main chain atoms: [13, 6]
Fragment all atoms: [13, 49, 50, 27, 6]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| 0XJ | 4GL7 |
| G29 | 4GL5 |
| FUA | 4V8U 4QS0 5JMN 1Q23 4V9M 4V5N 4V7B 4W29 2WRI 4QS2 4V9L 2VUF 6Q4P 4KDG 6Q4N 2XUY 4V5M 4V5F 4KDA 4B8F 2XSY 4KDJ 4B8H 2WRK 6Q4O 3J5N 4KD8 1QCA |
| JH3 | 2RQF 5V13 |
| JH2 | 3AOS |
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.