(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: DDE
File name: alatis_output_compound.sdf
|
Formula: C13H24N5O3 Compound mass: 298.3604000000001 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.20
- Compound probability: 0.14
List of identified carbohydrate fragments:
-
C2H6N1
Fragment probability: 0.20
Fragment mass: 86.1352
Fragment main chain atoms: [2, 18, 3]
Fragment all atoms: [2, 25, 26, 27, 18, 3, 28, 29, 30]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| DDE | 5JUP 3B78 1ZM4 3B82 6GQ1 6GQB 6GZ4 2P8Z 2ZIT 6GZ3 1ZM3 1ZM9 5JUS 6MTD 6MTE 1ZM2 5JUU 2P8X 6GZ5 3B8H 5JUO 6GQV 1U2R 2P8Y 5JUT |
| E9V | 6BVY |
| AVJ | 6O6L 6FNQ 4X8E 6QKJ 6H9A |
| AVI | 4PIN 4X8D 4PIO |
| HIS_LFZW |
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.