(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 4A3
File name: alatis_output_compound.sdf
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Formula: C7H7N1O3 Compound mass: 153.13510000000005 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.00
- Compound probability: 0.00
List of identified carbohydrate fragments:
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| 4A3 | 2HDR |
| 3HA | 6D62 4HSL 1YFY 6CD3 1U1W |
| BHA | 1SXK 5X7Z 1PBC 5HSL 1PBF |
| 3HB | 3PCB 5I7I 5A3K 4Q6W 5HPI 4BK1 2DKH 4PAI 6O9A 3TUS |
| PAB | 6DAY 5Z79 3Q2A 5UUR 1IUS 2DZA 1IUU 1IUT 3TYZ 1PBD |
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.