(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: BO3
File name: alatis_output_compound.sdf
|
Formula: B1H3O3 Compound mass: 61.8329 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 |
| BO4 | 2WJ8 2A32 2A31 1B33 4J5S 5M9T 5LYP |
| BO3 | 6IWG 1A95 1OJ7 4EX6 2Y8T 3R2V 1A97 6QS1 6PO4 3S42 5WIF 4KYC 6F9U 1A96 5WMK 4K90 3V7N 2J9T 2Y8S 5NJW 6H5W 1E3J 1S3T 4EX7 5FSB 6F9T |
| 3QD | 4WKS |
| SX | 4RKM 3HZ7 5TCK 1OAO 7GEP |
| NOB | 2YZE |
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.