(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 0NP
File name: alatis_output_compound.sdf
|
Formula: C9F1H11N5O4 Compound mass: 272.2127000000001 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.47
List of identified carbohydrate fragments:
-
C5H7N2O2
Fragment probability: 1.00
Fragment mass: 127.121
Fragment main chain atoms: [6, 7, 4, 19, 8]
Fragment all atoms: [6, 25, 7, 26, 13, 4, 24, 3, 22, 23, 16, 30, 19, 8, 27, 15]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| 0NP | 4EAD |
| AZZ | 3B9M 4LHM 3B9L 2JJ8 3BCR |
| FDU | 4OQM |
| F2U | 4OQL |
| DUR | 1RXS 4AOO 6K5K 4APZ 2I7D 5Y5P 1OE5 4V31 4B0H 6MJK 2C53 1BDU 4AOZ 2YB0 1TDU 5IOQ 3KUK |
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.