(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: ACN
File name: alatis_output_compound.sdf
|
Formula: C3H6O1 Compound mass: 58.0789 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.67
- Compound probability: 1.00
List of identified carbohydrate fragments:
-
C3H6O1
Fragment probability: 0.67
Fragment mass: 58.0789
Fragment main chain atoms: [1, 3, 2]
Fragment all atoms: [1, 5, 6, 7, 3, 4, 2, 8, 9, 10]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| ACN | 3C6Y 1FJQ 2FO9 6TYH 4GY7 3YAS 2Y55 3LA4 2Y5O 1I1W 1FJO 1G7A 1A2Q 1KV9 4RDB 4CHS 1GNS 1DWO 1SCK 1MPY 3ZVW 2C3C 2BO9 1G7B 6MHD 1SUD 1SUB 1SUC 3T92 5UQA 4WYE 1FJ3 3KGQ 2SBT 3TEZ 5Z05 3Q6J 1RHC |
| 5OZ | 5EK6 |
| CBG | |
| PNL | |
| ACU |
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.