(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 6JN
File name: alatis_output_compound.sdf
|
Formula: C5H6O5 Compound mass: 146.0979 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.96
- Compound probability: 1.00
List of identified carbohydrate fragments:
-
C5H6O5
Fragment probability: 0.96
Fragment mass: 146.0979
Fragment main chain atoms: [4, 1, 3, 2, 5]
Fragment all atoms: [4, 7, 8, 15, 1, 11, 12, 3, 6, 2, 13, 14, 5, 9, 10, 16]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| 6JN | 6J1M 6CWJ 6D63 |
| 98J | 2Y91 |
| 3HG | 3MP3 2CW6 |
| MAH | 2LIW 1DQA 1DQ8 |
| GUA | 6IQH 1B4N 1XEY 6HJA 5NYA 4LH3 1AMS 1JW0 1CZC 1IYD 4JXY 4UTR 6HL8 3P4R |
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.