(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: FDM
File name: alatis_output_compound.sdf
|
Formula: C10F1H14N2O7P1 Compound mass: 324.19900000000007 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.38
List of identified carbohydrate fragments:
-
C5H7N1O2
Fragment probability: 1.00
Fragment mass: 113.11429999999999
Fragment main chain atoms: [2, 6, 7, 20, 8]
Fragment all atoms: [2, 25, 26, 6, 30, 7, 31, 4, 28, 29, 19, 20, 8, 32, 13]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| FDM | 1NMY 1NMX |
| 2DT | 3PV8 1X9W 1T8E 3V6K 2AJQ 3GIL 4DU3 3RBE 4YFU 4EZ9 1SL0 4I27 1NN0 1SKW 3C5G 1NN5 1SKS 3BDP 4DU1 1X9S 3RRH 1NN1 3RAX 1NN3 1XSN 4F3O 1X9M 3HWT 1QTM |
| FUP | 1B99 |
| T | |
| 0DT | 1FV8 5VY7 |
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.