(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: GL3
File name: alatis_output_compound.sdf
|
Formula: C2H5N1O1S1 Compound mass: 91.13200000000003 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 |
| GL3 | 5N28 1HBN 5A8K 3M1V 3M2R 3M2U 3POT 1E6Y 1HBM 5A0Y 3M30 5A8W 5G0R 1MRO 3M2V 3SQG 5N2A 1HBU 5N1Q 1HBO 5A8R 3M32 3BII |
| CYS_LL | |
| CYS_LSN3_DHG | |
| CYS_LSN3 | |
| CYS_LL_DHG |
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.