(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: F2T
File name: alatis_output_compound.sdf
|
Formula: C9F1H12N2O7P1S1 Compound mass: 342.2375000000001 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.43
List of identified carbohydrate fragments:
-
C5H7N1O3
Fragment probability: 1.00
Fragment mass: 129.1137
Fragment main chain atoms: [6, 7, 4, 19, 8]
Fragment all atoms: [6, 27, 7, 28, 14, 31, 4, 26, 3, 24, 25, 18, 19, 8, 29, 12]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| F2T | 5JS2 |
| UF2 | 6MU4 3UFJ 5HF7 5JXY |
| U4M | 6CXZ |
| UFT | 3P4C 3DD2 2M8A 2KWG 3P4B 5VOE 3P4A 5VOF 3AGV 3MO7 5SWM 5JS2 5DO4 3MWA |
| U5R | 5DER |
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.