(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: TEE
File name: alatis_output_compound.sdf
|
Formula: C2H5N1S1 Compound mass: 75.13260000000002 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 |
| TEE | 1MQZ 1MQX 1MQY 2MH5 1QOW |
| BB9 | 2JQ7 1OLN 2L2Z 2L2X 2MC0 2L2W 2MBZ 5D8H 6U48 2C77 2L2Y 2XJI 1E9W 4HP2 5JBQ 3U6K 1D8T 3CF5 2XJH 3U2Q 4G5G 5W4K 3RQD 3U6B 2ZJP 6MXF 4FN5 |
| AKK | 1JD2 |
| MEE | 2GYO 2EFT 3AEP 5TG4 6A87 4YW8 3AEL 5TG7 5TG5 2BJS |
| OSM | 6L2V 6KY7 6L2J 5WV3 5ZWW 2GJ1 5K1E 5B72 2E9E 3NAK 5GLS 6A4Y 5ZGS 3BXI 2NQX 2EHA 6LCO 2EFB 2Z5Z |
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.