(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: HHR
File name: alatis_output_compound.sdf
|
Formula: C7H7N5O2 Compound mass: 193.16250000000005 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 |
| HHR | 2W54 1RU2 1TMM 3IP0 |
| HHS | 3IP0 4NJG |
| 6FP | 4L4T 4GUP |
| BIO | 1Y13 3QNA 2A0S 2BD0 1B66 1SEP |
| PMM | 6UCZ 1EYE 6OMZ 2BMB 1TWZ 2VEG |
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.