(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: PR
File name: alatis_output_compound.sdf
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Formula: Pr1 Compound mass: 140.9077 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 |
| PR | 4BD8 2VSY 5NGY 6OOM 2VXC 5WRC 4P3W 2IF5 4FLB 4BD7 3UKJ 6EUQ 3U3L 1K0Z 4WT0 6NDE 3MVC 3FOU 5AVK 2WVI 3T23 2VXB 6OOP 4WSZ 5XIT 4AFI 4ICV 3U3U 2ISN 3ATE 6U3Z 3U3N 3R79 2F1R 2ZNR 5H13 6U04 |
| 7PR | 6E1A 6B41 |
| A71 | 2DYW |
| LPT | 1LU5 |
| BPT | 1AU6 |
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.