(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 9SE
File name: alatis_output_compound.sdf
|
Formula: C6H9N1O4Se1 Compound mass: 238.09960000000007 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 |
| 9SE | 5FES 5FEZ |
| SYS | 3BOG |
| PSW | 3ZE9 3ZE6 2WPN 3ZEA 3ZE8 |
| 9U6 | 6AAP |
| CSE | 1FDO 3U5S 2XSK 1PFP 3EAN 4KO3 3ZE7 3EAO 4KO1 3ZEA 3ZE8 3ZE9 3FWF 1H0H 3FWI 4KO2 4KL8 1FDI 1PAE 1AA6 3FWJ 2IV2 1KQF 1KMK 4KN9 4KO4 1KQG 2WPN 1CC1 |
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.