(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: HQ6
File name: alatis_output_compound.sdf
|
Formula: C9H18N2O5 Compound mass: 234.24890000000016 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 |
| HQ6 | 2W66 |
| HG9 | 1SO2 |
| 2CV | 4PA4 4PA6 2Y04 6H7J 6H7O 2YCW 5HVX 2Y01 6H7K 4CBC 4AMJ 4P9O 6H7L 2Y02 4AMI 2Y03 3ZPR 6CSB 4OXS 2Y00 4X88 6H7N 5BZB 6IBL 3ZPQ 4PA7 4X8A 6H7M 4P2Z 5HVD 4PA3 4P30 3ZJZ 4PA9 4X89 4P9P |
| CHK | 1Y01 |
| QGA | 2JGQ |
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.