(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: FHU
File name: alatis_output_compound.sdf
|
Formula: C9F1H14N2O10P1 Compound mass: 360.1865000000001 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.52
List of identified carbohydrate fragments:
-
C8H9O4
Fragment probability: 1.00
Fragment mass: 144.12500000000003
Fragment main chain atoms: [22, 5, 4, 3, 2]
Fragment all atoms: [22, 5, 29, 9, 7, 6, 30, 4, 28, 14, 34, 3, 27, 13, 33, 2, 26, 1, 24, 25, 21]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| FHU | 3DH3 3HJW 1K8W 1R3E 2AB4 3HAX 1ZE2 4LGT 3HAY |
| FMU | 2BH2 |
| PBT | 2Y1I 1QL5 |
| QBT | 4M94 5FUY 2Y1J 5FUX 5FUW |
| UMC | 6NNR 4KNZ 5JFE 4GEV 4ISK 6CDZ 4IW5 |
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.