(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: OXM
File name: alatis_output_compound.sdf
|
Formula: C2H3N1O3 Compound mass: 89.05000000000001 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 |
| OXM | 5NBU 5HJR 6D9Y 5Z20 2V7P 6D8W 4LOC 2V5K 3H3F 1OC4 6CIB 5A1T 2XXJ 6K13 1LDN 5ES3 2FNZ 3VPH 1T2E 3UQN 4PLT 1LDM 3PFL 4PLH 1I10 1LDG 5YTA 4PLG 9LDT 1I0Z 4PLZ 6UK3 5Z21 5K9F 1LTH 6CEP 6Q0R 6GAR 5H9O 1A5Z 9LDB 4ND1 4KNL 2DLD 1H17 4AJ1 4OL9 6CT6 |
| GLY | |
| GLY_LFOH | |
| GLY_LEO2H | |
| GLY_LEO2 |
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.